A0A3Q0KCB3_SCHMA Loading...

GPI-anchor transamidase

AlphaFold DB (A0A5K4E9U8), UniProt , Accession A0A3Q0KCB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 aa.

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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	39.3	Very low	45	Very low	244 Å²	244	163 Å²	163	100%	1.202	82%	0.822	S	S	*	*				0	138.7	0	-72.9	165.2	158.7	0	0	108.4
2	R	37.4	Very low	45.8	Very low	205 Å²	205	162.3 Å²	162.3	77%	0.774	82%	0.82	S	S	*	*			cis	-172.8	134.7	-26.5	-148.4	-170.8	177.6	-143.4	2.6	101.8
3	W	39.1	Very low	46.4	Very low	187 Å²	187	164.2 Å²	164.2	71%	0.708	82%	0.819	S	S	*	*			trans	78.8	96.9	166.7	-52.2	86.6	0	0	0	119.4	L5	W3-L5 HydrophobicContact CE3-CD2 4.36Å; W3-L5 HydrophobicContact CE3-CG 4.43Å
4	C	46.1	Very low	46.7	Very low	126 Å²	126	159.6 Å²	159.6	85%	0.851	81%	0.811	S	S	*	*			trans	-105.1	116.4	142	-91	0	0	0	0	107.5
5	L	45.2	Very low	47.3	Very low	150 Å²	150	157.8 Å²	157.8	79%	0.785	80%	0.802	S	S	*	*			trans	-83.8	121.2	167.7	-75.1	159.7	0	0	0	107.7	W3	W3-L5 HydrophobicContact CE3-CD2 4.36Å; W3-L5 HydrophobicContact CE3-CG 4.43Å
6	L	49.5	Very low	47.6	Very low	154 Å²	154	157.8 Å²	157.8	81%	0.806	80%	0.803	S	S	*	*			trans	-111.8	108.2	174	-96.5	150.5	0	0	0	109.3
7	N	46	Very low	47.9	Very low	144 Å²	144	157.7 Å²	157.7	77%	0.77	81%	0.805	S	S	*	*			trans	31.8	112.6	143.2	-68.6	-25.6	0	0	0	119.5	C9	N7-C9 PolarHBondContact O-N 3.38Å
8	S	45	Very low	47.8	Very low	99 Å²	99	154.1 Å²	154.1	69%	0.692	80%	0.796	S	S	*	*			trans	-66.3	109.5	160.5	-175.1	0	0	0	0	110.7	Y10	S8-Y10 PolarHBondContact O-N 3.44Å
9	C	49.2	Very low	47.5	Very low	116 Å²	116	151.4 Å²	151.4	78%	0.784	79%	0.792	S	S	*	*			trans	-78.9	109.2	165.8	-72.9	0	0	0	0	109.6	N7 N11	N7-C9 PolarHBondContact O-N 3.38Å; C9-N11 PolarHBondContact O-N 3.34Å
10	Y	51.9	Low	47.3	Very low	210 Å²	210	150.9 Å²	150.9	82%	0.824	79%	0.789	S	S	*	*			trans	-72.8	110.2	164.7	-82.4	-91	0	0	0	109.1	S8 I12	S8-Y10 PolarHBondContact O-N 3.44Å; Y10-I12 PolarHBondContact O-N 3.29Å
11	N	46.5	Very low	46.7	Very low	158 Å²	158	148.6 Å²	148.6	85%	0.845	79%	0.785	S	S	*	*			trans	-71.6	108.6	166.9	-90.3	-47.9	0	0	0	109	C9 F13	C9-N11 PolarHBondContact O-N 3.34Å; N11-F13 PolarHBondContact O-N 3.29Å
12	I	54.9	Low	46.5	Very low	155 Å²	155	144 Å²	144	80%	0.795	77%	0.765	S	S	*	*			trans	-80.8	102.2	166.3	-63.3	170.4	0	0	0	106.7	Y10 S14	Y10-I12 PolarHBondContact O-N 3.29Å; I12-S14 PolarHBondContact O-N 3.36Å
13	F	52.5	Low	46.4	Very low	186 Å²	186	139.1 Å²	139.1	82%	0.816	76%	0.762	S	S	*	*			trans	-81.6	95.6	171	-146.4	-93.7	0	0	0	107.9	N11 I15	N11-F13 PolarHBondContact O-N 3.29Å; F13-I15 HydrophobicContact CD1-CG1 4.41Å; F13-I15 PolarHBondContact O-N 3.1Å; F13-I15 VanDerWaalsContact O-N 3.1Å
14	S	51	Low	47	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	75%	0.746	S	S	*	*			trans	-68.3	103.3	169.2	-84.6	0	0	0	0	109.2	I12 L16	I12-S14 PolarHBondContact O-N 3.36Å; S14-L16 PolarHBondContact O-N 3.12Å; S14-L16 VanDerWaalsContact O-N 3.12Å
15	I	55.8	Low	47.4	Very low	133 Å²	133	130.5 Å²	130.5	68%	0.682	72%	0.724	S	S	*	*			trans	-70.3	100.3	165.8	-64.1	169.8	0	0	0	106.8	F13 L17	F13-I15 HydrophobicContact CD1-CG1 4.41Å; F13-I15 PolarHBondContact O-N 3.1Å; F13-I15 VanDerWaalsContact O-N 3.1Å; I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 HydrophobicContact CG2-CD1 4.48Å; I15-L17 HydrophobicContact CG2-CG 4.32Å; I15-L17 PolarHBondContact O-N 2.93Å
16	L	52.8	Low	49	Very low	157 Å²	157	132.5 Å²	132.5	82%	0.822	72%	0.721	S	S	*	*			trans	-66.1	95.3	160.7	-100.5	116.9	0	0	0	107.3	S14 S18	S14-L16 PolarHBondContact O-N 3.12Å; S14-L16 VanDerWaalsContact O-N 3.12Å; L16-S18 PolarHBondContact O-N 2.98Å
17	L	52.5	Low	51.1	Low	157 Å²	157	125.5 Å²	125.5	82%	0.822	68%	0.684	S	S	*	*			trans	-64.8	88	156.8	-88	135.5	0	0	0	106.9	I15 S19	I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 HydrophobicContact CG2-CD1 4.48Å; I15-L17 HydrophobicContact CG2-CG 4.32Å; I15-L17 PolarHBondContact O-N 2.93Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.98Å
18	S	45.9	Very low	53.4	Low	92 Å²	92	121.3 Å²	121.3	64%	0.643	66%	0.664	S	S	*	*			trans	-59.6	103.8	156.9	37.9	0	0	0	0	106.5	L16 I20	L16-S18 PolarHBondContact O-N 2.98Å; S18-I20 PolarHBondContact O-N 2.78Å
19	S	41.5	Very low	55.9	Low	104 Å²	104	117 Å²	117	73%	0.727	63%	0.634	S	S	*	*			trans	-58.2	90.5	160.7	47	0	0	0	0	107.1	L17 S21	L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.98Å; S19-S21 PolarHBondContact O-N 2.69Å
20	I	44.3	Very low	58.2	Low	141 Å²	141	111.6 Å²	111.6	72%	0.723	60%	0.598	S	S	*	*			trans	-65.7	87.1	161.4	-59.4	172.9	0	0	0	104	S18 L22	S18-I20 PolarHBondContact O-N 2.78Å; I20-L22 PolarHBondContact O-N 2.88Å
21	S	33.6	Very low	60.4	Low	102 Å²	102	102.6 Å²	102.6	71%	0.713	56%	0.562	S	S	*	*			trans	-56.4	101.9	157	-60.9	0	0	0	0	104.6	S19 S23	S19-S21 PolarHBondContact O-N 2.69Å; S21-S23 PolarHBondContact O-N 2.83Å
22	L	36.7	Very low	62.9	Low	148 Å²	148	95.1 Å²	95.1	78%	0.775	52%	0.522	S	S	*	.			trans	-63.7	80.1	167.6	-159.7	83	0	0	0	105.2	I20 Y24	I20-L22 PolarHBondContact O-N 2.88Å; L22-Y24 VanDerWaalsContact C-N 3.25Å; L22-Y24 PolarHBondContact O-N 3.43Å
23	S	35.2	Very low	65	Low	103 Å²	103	87.7 Å²	87.7	72%	0.72	48%	0.484	S	S	*	.			trans	-56.1	103.5	163.8	175.9	0	0	0	0	103.4	S21 G25	S21-S23 PolarHBondContact O-N 2.83Å; S23-G25 PolarHBondContact O-N 3.23Å
24	Y	50.5	Low	67.2	Low	93 Å²	93	78.9 Å²	78.9	37%	0.365	45%	0.445	S	S	.	.			trans	-59.2	98.1	175.7	-166.7	-81.3	0	0	0	105.1	L22 R26 H182 E183 R278	L22-Y24 VanDerWaalsContact C-N 3.25Å; L22-Y24 PolarHBondContact O-N 3.43Å; Y24-R26 PolarHBondContact O-N 2.97Å; Y24-H182 AromaticContact CE1-CE1 4Å; Y24-E183 WeakPolarHBondContact CE1-OE1 3.34Å; Y24-E183 PolarHBondContact OH-OE1 3.02Å; Y24-R278 HydrophobicContact CE1-CG 4.05Å; Y24-R278 HydrophobicContact CE2-CG 3.88Å; Y24-R278 WeakPolarHBondContact OH-CD 3.3Å; Y24-R278 WeakPolarHBondContact OH-CG 3.3Å
25	G	55.7	Low	69.5	Low	39 Å²	39	74.1 Å²	74.1	40%	0.402	41%	0.412	S	S	.	.			trans	-61.6	107.8	-162.8	0	0	0	0	0	108.2	S23 H27 H182	S23-G25 PolarHBondContact O-N 3.23Å; G25-H27 PolarHBondContact O-N 3.4Å; G25-H182 PolarHBondContact O-NE2 2.63Å
26	R	79.2	Confident	71.5	Confident	192 Å²	192	67.9 Å²	67.9	73%	0.725	38%	0.38	S	S	*	.			trans	-55.5	127.6	172.5	-170.6	172.6	174.2	177	-3.7	107.3	Y24	Y24-R26 PolarHBondContact O-N 2.97Å
27	H	92.4	Very high	73.7	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.028	34%	0.341	C	S	.	.			trans	-58	151.3	178.6	61.6	-73.1	0	0	0	110.9	G25 N30 H139 N141 D287 V292	G25-H27 PolarHBondContact O-N 3.4Å; H27-N30 PolarHBondContact CD2-OD1 2.74Å; H27-N30 PolarHBondContact NE2-OD1 2.66Å; H27-H139 CarbonylContact C-O 3.54Å; H27-H139 WeakPolarHBondContact CA-O 3.5Å; H27-H139 WeakPolarHBondContact CB-O 3.38Å; H27-N141 HydrophobicContact CB-CB 4.41Å; H27-N141 WeakPolarHBondContact CB-OD1 3.27Å; H27-N141 PolarHBondContact ND1-ND2 3.31Å; H27-D287 IonicContact CE1-OD1 2.92Å; H27-D287 PolarHBondContact NE2-O 3.13Å; H27-V292 VanDerWaalsContact CD2-CG2 3.4Å; H27-V292 WeakPolarHBondContact CD2-CG2 3.31Å; H27-V292 VanDerWaalsContact NE2-CG2 3.33Å; H27-V292 WeakPolarHBondContact NE2-CG2 3.23Å
28	T	94.5	Very high	75.8	Confident	57 Å²	57	53.2 Å²	53.2	35%	0.35	30%	0.304	S	S	.	.	S	Bend	trans	-99.5	-18.1	-174.9	58.5	0	0	0	0	112.4	H139	T28-H139 HydrophobicContact CG2-CB 4.02Å; T28-H139 PolarHBondContact N-O 3.2Å; T28-H139 VanDerWaalsContact OG1-CB 3.31Å; T28-H139 WeakPolarHBondContact OG1-CB 3.06Å; T28-H139 PolarHBondContact OG1-O 2.87Å
29	S	96.8	Very high	78.1	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.1	179.4	72.6	0	0	0	0	112.5	W31 S140 N141	S29-W31 PolarHBondContact OG-NE1 2.96Å; S29-S140 WeakPolarHBondContact O-CA 3.26Å; S29-S140 PolarHBondContact OG-OG 2.83Å; S29-N141 PolarHBondContact O-N 2.86Å
30	N	97.9	Very high	80.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.6	170.6	-76.3	-3.6	0	0	0	108.8	H27 I62 R66 N141 T286 D287 G290	H27-N30 PolarHBondContact CD2-OD1 2.74Å; H27-N30 PolarHBondContact NE2-OD1 2.66Å; N30-I62 HydrophobicContact CB-CD1 3.73Å; N30-I62 HydrophobicContact CB-CG1 4.31Å; N30-R66 WeakPolarHBondContact O-CD 3.31Å; N30-N141 WeakPolarHBondContact CA-O 3.34Å; N30-N141 WeakPolarHBondContact OD1-CB 3.45Å; N30-T286 PolarHBondContact ND2-O 3.39Å; N30-D287 VanDerWaalsContact CG-O 3.32Å; N30-D287 VanDerWaalsContact ND2-C 3.29Å; N30-D287 PolarHBondContact ND2-O 2.77Å; N30-D287 PolarHBondContact OD1-O 2.66Å; N30-G290 WeakPolarHBondContact CB-O 3.28Å; N30-G290 PolarHBondContact ND2-O 2.86Å
31	W	98.5	Very high	83.1	Confident	21 Å²	21	45.5 Å²	45.5	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.2	178.1	-68.5	74.5	0	0	0	110.1	S29 S65 R66 L134 N135 T136 N141 I142 L143	S29-W31 PolarHBondContact OG-NE1 2.96Å; W31-S65 WeakPolarHBondContact CZ3-O 3.33Å; W31-R66 CarbonylContact C-O 3.58Å; W31-R66 VanDerWaalsContact CA-O 3.32Å; W31-R66 WeakPolarHBondContact CA-O 3.36Å; W31-R66 HydrophobicContact CD2-CB 3.87Å; W31-R66 HydrophobicContact CD2-CG 4Å; W31-R66 VanDerWaalsContact CE3-CA 3.47Å; W31-R66 HydrophobicContact CE3-CB 3.86Å; W31-R66 HydrophobicContact CE3-CG 4.16Å; W31-R66 HydrophobicContact CG-CB 4.28Å; W31-R66 HydrophobicContact CH2-CG 4.06Å; W31-R66 HydrophobicContact CZ2-CG 3.93Å; W31-R66 HydrophobicContact CZ3-CB 4.24Å; W31-R66 HydrophobicContact CZ3-CG 4.19Å; W31-L134 HydrophobicContact CB-CD1 4.07Å; W31-L134 HydrophobicContact CD2-CD1 4.36Å; W31-L134 HydrophobicContact CE3-CD1 3.9Å; W31-L134 HydrophobicContact CG-CD1 4.48Å; W31-N135 HydrophobicContact CH2-CB 3.78Å; W31-N135 HydrophobicContact CZ2-CB 4.25Å; W31-N135 WeakPolarHBondContact CZ2-O 3.32Å; W31-N135 HydrophobicContact CZ3-CB 4.47Å; W31-T136 HydrophobicContact CB-CG2 3.8Å; W31-T136 HydrophobicContact CD2-CG2 3.57Å; W31-T136 HydrophobicContact CE3-CG2 4.21Å; W31-T136 HydrophobicContact CG-CG2 3.36Å; W31-N141 PolarHBondContact N-O 3.06Å; W31-I142 WeakPolarHBondContact O-CA 3.44Å; W31-L143 PolarHBondContact O-N 2.95Å
32	A	98.8	Very high	86	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.4	175.9	0	0	0	0	0	111.6	L34 I57 R66 I67 I68 L143	A32-L34 HydrophobicContact CB-CD2 4.1Å; A32-L34 HydrophobicContact CB-CG 4.24Å; A32-I57 HydrophobicContact CB-CD1 3.46Å; A32-I57 VanDerWaalsContact CB-CD1 3.46Å; A32-R66 PolarHBondContact N-O 2.9Å; A32-I67 HydrophobicContact CB-CG1 4.37Å; A32-I67 HydrophobicContact CB-CG2 4.33Å; A32-I67 CarbonylContact O-C 3.49Å; A32-I67 WeakPolarHBondContact O-CA 3.42Å; A32-I68 PolarHBondContact O-N 3.17Å; A32-L143 CarbonylContact C-O 3.55Å; A32-L143 VanDerWaalsContact CA-O 3.24Å; A32-L143 WeakPolarHBondContact CA-O 3.42Å; A32-L143 HydrophobicContact CB-CB 4.39Å
33	V	98.9	Very high	88.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.1	165.9	-176	0	0	0	0	106.7	V35 I68 F116 L120 L134 L143 I144 Y145	V33-V35 HydrophobicContact CG1-CG2 4.05Å; V33-I68 WeakPolarHBondContact CA-O 3.28Å; V33-I68 HydrophobicContact CG1-CB 4.44Å; V33-I68 HydrophobicContact CG2-CB 4.38Å; V33-F116 HydrophobicContact CG1-CD2 4.29Å; V33-F116 HydrophobicContact CG1-CE2 3.94Å; V33-L120 HydrophobicContact CG1-CD2 4.49Å; V33-L120 HydrophobicContact CG2-CD2 4.18Å; V33-L134 HydrophobicContact CG2-CD1 3.85Å; V33-L134 HydrophobicContact CG2-CD2 3.96Å; V33-L134 HydrophobicContact CG2-CG 4.47Å; V33-L143 PolarHBondContact N-O 3.43Å; V33-I144 HydrophobicContact CB-CG1 4.35Å; V33-I144 WeakPolarHBondContact O-CA 3.33Å; V33-Y145 PolarHBondContact O-N 3.18Å
34	L	98.9	Very high	91.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.9	-173.7	-51.5	-176.3	0	0	0	109.1	A32 V50 I53 Y54 I57 I67 I68 L69 M70 L143 Y145	A32-L34 HydrophobicContact CB-CD2 4.1Å; A32-L34 HydrophobicContact CB-CG 4.24Å; L34-V50 HydrophobicContact CB-CG2 3.5Å; L34-I53 HydrophobicContact CD1-CG2 4.34Å; L34-I53 HydrophobicContact CD2-CG2 3.75Å; L34-Y54 HydrophobicContact CD1-CD2 4.07Å; L34-Y54 HydrophobicContact CD1-CG 4.4Å; L34-I57 HydrophobicContact CD1-CD1 3.78Å; L34-I57 HydrophobicContact CG-CD1 4.41Å; L34-I67 HydrophobicContact CD1-CG2 4.02Å; L34-I67 HydrophobicContact CG-CG2 4.28Å; L34-I68 PolarHBondContact N-O 3.08Å; L34-L69 HydrophobicContact CB-CD1 3.93Å; L34-M70 PolarHBondContact O-N 2.62Å; L34-L143 HydrophobicContact CD2-CD2 4.43Å; L34-Y145 CarbonylContact C-O 3.48Å; L34-Y145 WeakPolarHBondContact CA-O 3.47Å; L34-Y145 HydrophobicContact CD2-CD1 4.5Å
35	V	98.8	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115	-170.1	-167.6	0	0	0	0	111.1	V33 T37 M70 V111 F116 Y145 M146 T147 F157	V33-V35 HydrophobicContact CG1-CG2 4.05Å; V35-T37 HydrophobicContact CG1-CG2 3.68Å; V35-M70 WeakPolarHBondContact CA-O 3.48Å; V35-M70 HydrophobicContact CB-CB 4.44Å; V35-M70 HydrophobicContact CG1-CB 4.06Å; V35-M70 HydrophobicContact CG1-SD 4.5Å; V35-M70 HydrophobicContact CG2-CB 4.31Å; V35-M70 HydrophobicContact CG2-CG 4.35Å; V35-M70 HydrophobicContact CG2-SD 4.07Å; V35-V111 HydrophobicContact CG1-CG1 4.34Å; V35-F116 HydrophobicContact CG2-CD2 3.81Å; V35-F116 HydrophobicContact CG2-CE2 3.74Å; V35-Y145 PolarHBondContact N-O 3.29Å; V35-M146 HydrophobicContact CB-CE 4.31Å; V35-M146 HydrophobicContact CB-CG 4.22Å; V35-M146 HydrophobicContact CG1-CE 4.29Å; V35-M146 HydrophobicContact CG2-CE 4.48Å; V35-M146 HydrophobicContact CG2-CG 4.36Å; V35-M146 WeakPolarHBondContact O-CA 3.01Å; V35-T147 PolarHBondContact O-N 2.95Å; V35-F157 HydrophobicContact CG1-CE1 4.1Å; V35-F157 HydrophobicContact CG1-CZ 4.11Å
36	D	98.5	Very high	96.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.011	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.4	157.1	167.2	20.7	0	0	0	108.6	S38 H46 I47 V50 M70 A72 T147	D36-S38 PolarHBondContact OD1-N 3.14Å; D36-H46 WeakPolarHBondContact OD1-CB 3.41Å; D36-I47 WeakPolarHBondContact OD2-CA 3.3Å; D36-I47 WeakPolarHBondContact OD2-CB 3.5Å; D36-I47 PolarHBondContact OD2-N 2.97Å; D36-I47 VanDerWaalsContact OD2-N 3.11Å; D36-V50 HydrophobicContact CB-CB 4.21Å; D36-V50 HydrophobicContact CB-CG1 3.82Å; D36-M70 PolarHBondContact N-O 2.71Å; D36-A72 VanDerWaalsContact O-CB 3.25Å; D36-A72 WeakPolarHBondContact O-CB 3.35Å; D36-A72 PolarHBondContact O-N 2.78Å; D36-A72 VanDerWaalsContact O-N 3.11Å; D36-T147 HydrophobicContact CB-CG2 4.25Å
37	T	98.2	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.			trans	-95.9	-5.2	-175	70.8	0	0	0	0	114.1	V35 M146 T147 G148 L155 K156 F157 Q158	V35-T37 HydrophobicContact CG1-CG2 3.68Å; T37-M146 HydrophobicContact CG2-CE 4.28Å; T37-T147 PolarHBondContact N-O 2.86Å; T37-T147 VanDerWaalsContact N-O 3.1Å; T37-T147 PolarHBondContact OG1-O 2.84Å; T37-G148 WeakPolarHBondContact OG1-CA 3.37Å; T37-L155 HydrophobicContact CG2-CD2 3.73Å; T37-L155 HydrophobicContact CG2-CG 4.35Å; T37-K156 WeakPolarHBondContact CB-O 3.49Å; T37-K156 PolarHBondContact OG1-O 3.32Å; T37-F157 HydrophobicContact CG2-CD1 4.25Å; T37-F157 HydrophobicContact CG2-CD2 3.85Å; T37-F157 HydrophobicContact CG2-CE1 4Å; T37-F157 HydrophobicContact CG2-CE2 3.56Å; T37-F157 HydrophobicContact CG2-CG 4.2Å; T37-F157 HydrophobicContact CG2-CZ 3.65Å; T37-Q158 PolarHBondContact O-N 2.75Å
38	S	97.7	Very high	97.2	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.042	9%	0.092	C	C	.	.			trans	-105.3	150.1	-167.8	-61.2	0	0	0	0	113.9	D36 H46 A72 G148	D36-S38 PolarHBondContact OD1-N 3.14Å; S38-H46 WeakPolarHBondContact CB-ND1 3.36Å; S38-H46 PolarHBondContact OG-CE1 2.79Å; S38-H46 PolarHBondContact OG-ND1 2.92Å; S38-A72 WeakPolarHBondContact O-CB 3.47Å; S38-G148 WeakPolarHBondContact OG-CA 3.41Å
39	R	94.3	Very high	97.4	Very high	44 Å²	44	17.4 Å²	17.4	17%	0.166	8%	0.075	C	C	.	.			trans	-110	170.7	175.5	-65.1	-171.3	91.2	131.1	-12.4	113	N43 A72 D73 Q158	R39-N43 WeakPolarHBondContact O-CB 3.43Å; R39-N43 PolarHBondContact O-ND2 3.44Å; R39-A72 HydrophobicContact CG-CB 4.42Å; R39-D73 HydrophobicContact CB-CB 4.27Å; R39-D73 HydrophobicContact CG-CB 4.34Å; R39-Q158 HydrophobicContact CG-CB 4.38Å
40	F	94.7	Very high	97.5	Very high	102 Å²	102	17 Å²	17	45%	0.447	7%	0.072	S	C	.	.	S	Bend	trans	76.9	150.5	172.3	-46.2	-64.6	0	0	0	113.7	F42 N43 D73 D159	F40-F42 HydrophobicContact CB-CD1 3.65Å; F40-F42 HydrophobicContact CB-CE1 3.42Å; F40-F42 VanDerWaalsContact CB-CE1 3.42Å; F40-F42 HydrophobicContact CB-CZ 4.3Å; F40-F42 AromaticContact CD2-CE1 3.7Å; F40-F42 HydrophobicContact CD2-CE1 3.7Å; F40-F42 HydrophobicContact CD2-CZ 4.05Å; F40-F42 AromaticContact CG-CE1 3.9Å; F40-F42 HydrophobicContact CG-CE1 3.9Å; F40-F42 PolarHBondContact O-N 2.8Å; F40-F42 VanDerWaalsContact O-N 3.09Å; F40-N43 PolarHBondContact O-N 2.96Å; F40-D73 WeakPolarHBondContact CA-OD2 3.45Å; F40-D73 PolarHBondContact N-OD2 2.97Å; F40-D159 HydrophobicContact CE2-CB 4.31Å
41	W	95.6	Very high	97.5	Very high	29 Å²	29	16.9 Å²	16.9	11%	0.11	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-52.9	-36.8	-174.4	-173.7	-106.9	0	0	0	114.6	N43 Y44 A75 R80 N81 I226	W41-N43 PolarHBondContact O-N 2.79Å; W41-N43 VanDerWaalsContact O-N 3.16Å; W41-Y44 HydrophobicContact CE3-CD2 4.44Å; W41-Y44 AromaticContact CH2-CD2 3.69Å; W41-Y44 HydrophobicContact CH2-CD2 3.69Å; W41-Y44 AromaticContact CH2-CE2 3.87Å; W41-Y44 HydrophobicContact CH2-CE2 3.87Å; W41-Y44 HydrophobicContact CZ2-CD2 4.23Å; W41-Y44 AromaticContact CZ3-CD2 3.84Å; W41-Y44 HydrophobicContact CZ3-CD2 3.84Å; W41-Y44 HydrophobicContact CZ3-CE2 4.26Å; W41-Y44 WeakPolarHBondContact O-CB 2.9Å; W41-Y44 PolarHBondContact O-N 3.23Å; W41-Y44 VanDerWaalsContact O-N 3.08Å; W41-A75 HydrophobicContact CE3-CB 4.28Å; W41-A75 HydrophobicContact CZ3-CB 3.88Å; W41-R80 HydrophobicContact CD2-CB 3.57Å; W41-R80 HydrophobicContact CD2-CG 4.46Å; W41-R80 HydrophobicContact CE3-CB 3.88Å; W41-R80 HydrophobicContact CG-CB 3.96Å; W41-R80 HydrophobicContact CG-CG 4.4Å; W41-R80 HydrophobicContact CH2-CB 4.45Å; W41-R80 HydrophobicContact CZ2-CB 4.13Å; W41-R80 WeakPolarHBondContact CZ2-O 3.5Å; W41-R80 HydrophobicContact CZ3-CB 4.31Å; W41-N81 HydrophobicContact CH2-CB 3.53Å; W41-N81 HydrophobicContact CZ3-CB 3.83Å; W41-I226 HydrophobicContact CH2-CG2 4.23Å; W41-I226 HydrophobicContact CZ2-CB 4.48Å; W41-I226 HydrophobicContact CZ2-CG2 3.6Å; W41-I226 WeakPolarHBondContact CZ2-O 3.42Å; W41-I226 PolarHBondContact NE1-O 3.42Å
42	F	94.8	Very high	97.4	Very high	107 Å²	107	15.9 Å²	15.9	47%	0.469	7%	0.068	S	C	.	.	G	3₁₀ helix	trans	-65.5	-18.7	-179.2	67.9	-93.3	0	0	0	112.9	F40 R45 T228	F40-F42 HydrophobicContact CB-CD1 3.65Å; F40-F42 HydrophobicContact CB-CE1 3.42Å; F40-F42 VanDerWaalsContact CB-CE1 3.42Å; F40-F42 HydrophobicContact CB-CZ 4.3Å; F40-F42 AromaticContact CD2-CE1 3.7Å; F40-F42 HydrophobicContact CD2-CE1 3.7Å; F40-F42 HydrophobicContact CD2-CZ 4.05Å; F40-F42 AromaticContact CG-CE1 3.9Å; F40-F42 HydrophobicContact CG-CE1 3.9Å; F40-F42 PolarHBondContact O-N 2.8Å; F40-F42 VanDerWaalsContact O-N 3.09Å; F42-R45 PolarHBondContact O-NH1 2.88Å; F42-T228 PolarHBondContact O-OG1 3.4Å; F42-T228 VanDerWaalsContact O-OG1 3.05Å
43	N	97	Very high	97.4	Very high	10 Å²	10	16 Å²	16	5%	0.053	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-95.5	18.2	175	-67.8	-38.8	0	0	0	114.1	R39 F40 W41 R45 H46 H149	R39-N43 WeakPolarHBondContact O-CB 3.43Å; R39-N43 PolarHBondContact O-ND2 3.44Å; F40-N43 PolarHBondContact O-N 2.96Å; W41-N43 PolarHBondContact O-N 2.79Å; W41-N43 VanDerWaalsContact O-N 3.16Å; N43-R45 PolarHBondContact O-N 2.63Å; N43-R45 PolarHBondContact OD1-NH1 3.06Å; N43-R45 PolarHBondContact OD1-NH2 2.84Å; N43-H46 PolarHBondContact O-N 3.01Å; N43-H149 PolarHBondContact OD1-NE2 3.38Å
44	Y	97.3	Very high	97.3	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-41.9	-37.1	174	-177.7	-77.5	0	0	0	114.1	W41 H46 I47 S48 A75 I87 F88 I226 T228 V230	W41-Y44 HydrophobicContact CE3-CD2 4.44Å; W41-Y44 AromaticContact CH2-CD2 3.69Å; W41-Y44 HydrophobicContact CH2-CD2 3.69Å; W41-Y44 AromaticContact CH2-CE2 3.87Å; W41-Y44 HydrophobicContact CH2-CE2 3.87Å; W41-Y44 HydrophobicContact CZ2-CD2 4.23Å; W41-Y44 AromaticContact CZ3-CD2 3.84Å; W41-Y44 HydrophobicContact CZ3-CD2 3.84Å; W41-Y44 HydrophobicContact CZ3-CE2 4.26Å; W41-Y44 WeakPolarHBondContact O-CB 2.9Å; W41-Y44 PolarHBondContact O-N 3.23Å; W41-Y44 VanDerWaalsContact O-N 3.08Å; Y44-H46 VanDerWaalsContact C-N 3.28Å; Y44-H46 PolarHBondContact O-N 2.92Å; Y44-I47 WeakPolarHBondContact O-CG2 3.2Å; Y44-I47 PolarHBondContact O-N 3.45Å; Y44-S48 PolarHBondContact O-N 3.4Å; Y44-S48 VanDerWaalsContact O-N 3.14Å; Y44-A75 HydrophobicContact CD2-CB 3.7Å; Y44-A75 HydrophobicContact CE2-CB 4.13Å; Y44-I87 HydrophobicContact CD2-CD1 4.41Å; Y44-I87 HydrophobicContact CE1-CG2 4.19Å; Y44-I87 HydrophobicContact CE2-CD1 3.65Å; Y44-I87 VanDerWaalsContact OH-CA 3.25Å; Y44-I87 WeakPolarHBondContact OH-CA 3.2Å; Y44-F88 WeakPolarHBondContact CE1-O 3.33Å; Y44-F88 PolarHBondContact OH-N 3.28Å; Y44-I226 HydrophobicContact CD1-CG2 4.4Å; Y44-I226 HydrophobicContact CD2-CG2 3.9Å; Y44-I226 HydrophobicContact CE1-CD1 4.16Å; Y44-I226 HydrophobicContact CE2-CD1 4.37Å; Y44-I226 HydrophobicContact CE2-CG2 4.02Å; Y44-I226 HydrophobicContact CG-CG2 4.1Å; Y44-T228 HydrophobicContact CG-CG2 4.41Å; Y44-V230 HydrophobicContact CD1-CB 4.18Å; Y44-V230 HydrophobicContact CD1-CG1 4.13Å; Y44-V230 HydrophobicContact CE1-CB 4.03Å; Y44-V230 HydrophobicContact CE1-CG1 3.99Å
45	R	97.7	Very high	97.2	Very high	24 Å²	24	21 Å²	21	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-56.6	-34.4	178	62.4	-170	-171.3	-67.5	-19.1	114.5	F42 N43 S48 N49 H149 Y229 D232	F42-R45 PolarHBondContact O-NH1 2.88Å; N43-R45 PolarHBondContact O-N 2.63Å; N43-R45 PolarHBondContact OD1-NH1 3.06Å; N43-R45 PolarHBondContact OD1-NH2 2.84Å; R45-S48 CarbonylContact O-C 3.59Å; R45-S48 WeakPolarHBondContact O-CB 3.32Å; R45-S48 PolarHBondContact O-N 3.33Å; R45-N49 WeakPolarHBondContact O-CB 3.45Å; R45-N49 PolarHBondContact O-N 3.18Å; R45-N49 PolarHBondContact O-ND2 3.24Å; R45-N49 PolarHBondContact O-OD1 2.96Å; R45-N49 VanDerWaalsContact O-OD1 3.07Å; R45-H149 PolarHBondContact NH2-CE1 2.85Å; R45-H149 PolarHBondContact NH2-NE2 3.28Å; R45-Y229 PolarHBondContact N-O 3.5Å; R45-D232 WeakPolarHBondContact CD-OD1 3.44Å; R45-D232 WeakPolarHBondContact CG-OD2 3.47Å; R45-D232 IonicContact NE-OD1 2.69Å; R45-D232 PolarHBondContact NE-OD1 3.09Å; R45-D232 VanDerWaalsContact NE-OD1 3.09Å; R45-D232 IonicContact NE-OD2 2.87Å
46	H	98.2	Very high	97.1	Very high	5 Å²	5	21 Å²	21	2%	0.023	9%	0.088	C	C	.	.	H	α-helix	trans	-71.9	-42.3	-175.8	-59.5	153.6	0	0	0	111.9	D36 S38 N43 Y44 S48 N49 V50 T147 H149 D232	D36-H46 WeakPolarHBondContact OD1-CB 3.41Å; S38-H46 WeakPolarHBondContact CB-ND1 3.36Å; S38-H46 PolarHBondContact OG-CE1 2.79Å; S38-H46 PolarHBondContact OG-ND1 2.92Å; N43-H46 PolarHBondContact O-N 3.01Å; Y44-H46 VanDerWaalsContact C-N 3.28Å; Y44-H46 PolarHBondContact O-N 2.92Å; H46-S48 VanDerWaalsContact C-N 3.31Å; H46-S48 PolarHBondContact O-N 3.01Å; H46-N49 WeakPolarHBondContact O-CB 3.43Å; H46-N49 PolarHBondContact O-N 3.26Å; H46-V50 PolarHBondContact O-N 3.19Å; H46-T147 HydrophobicContact CB-CG2 4.12Å; H46-T147 VanDerWaalsContact O-CG2 3.24Å; H46-T147 WeakPolarHBondContact O-CG2 2.96Å; H46-H149 AromaticContact CE1-CD2 3.69Å; H46-H149 AromaticContact CE1-CE1 3.99Å; H46-H149 AromaticContact CE1-NE2 3.62Å; H46-D232 IonicContact CD2-OD2 2.79Å; H46-D232 PolarHBondContact CD2-OD2 3.14Å; H46-D232 IonicContact NE2-OD2 3.74Å
47	I	97.4	Very high	97	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-62.2	-40.9	169.6	-177.4	175.6	0	0	0	110.9	D36 Y44 N49 V50 L51 V71 A75 I87	D36-I47 WeakPolarHBondContact OD2-CA 3.3Å; D36-I47 WeakPolarHBondContact OD2-CB 3.5Å; D36-I47 PolarHBondContact OD2-N 2.97Å; D36-I47 VanDerWaalsContact OD2-N 3.11Å; Y44-I47 WeakPolarHBondContact O-CG2 3.2Å; Y44-I47 PolarHBondContact O-N 3.45Å; I47-N49 VanDerWaalsContact C-N 3.32Å; I47-N49 PolarHBondContact O-N 3.23Å; I47-V50 VanDerWaalsContact O-CG1 3.32Å; I47-V50 WeakPolarHBondContact O-CG1 3.21Å; I47-V50 PolarHBondContact O-N 2.98Å; I47-L51 HydrophobicContact CD1-CD1 4.27Å; I47-L51 HydrophobicContact CG1-CD1 3.85Å; I47-L51 HydrophobicContact CG1-CG 4.04Å; I47-L51 WeakPolarHBondContact O-CB 3.45Å; I47-L51 WeakPolarHBondContact O-CG 3.42Å; I47-L51 PolarHBondContact O-N 3.33Å; I47-V71 HydrophobicContact CB-CG1 4.4Å; I47-V71 HydrophobicContact CD1-CG1 3.58Å; I47-V71 HydrophobicContact CG1-CG1 3.9Å; I47-A75 HydrophobicContact CG2-CB 3.86Å; I47-I87 HydrophobicContact CD1-CD1 4.32Å; I47-I87 HydrophobicContact CD1-CG1 4.38Å; I47-I87 HydrophobicContact CG2-CD1 4.32Å
48	S	97.3	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-39.9	176.4	-179.4	0	0	0	0	112.9	Y44 R45 H46 S52 F88 N89 L97 V230	Y44-S48 PolarHBondContact O-N 3.4Å; Y44-S48 VanDerWaalsContact O-N 3.14Å; R45-S48 CarbonylContact O-C 3.59Å; R45-S48 WeakPolarHBondContact O-CB 3.32Å; R45-S48 PolarHBondContact O-N 3.33Å; H46-S48 VanDerWaalsContact C-N 3.31Å; H46-S48 PolarHBondContact O-N 3.01Å; S48-S52 WeakPolarHBondContact O-CB 3.34Å; S48-S52 PolarHBondContact O-N 2.89Å; S48-S52 PolarHBondContact O-OG 3.44Å; S48-F88 PolarHBondContact OG-O 3.01Å; S48-N89 VanDerWaalsContact OG-CA 3.22Å; S48-N89 WeakPolarHBondContact OG-CA 3.44Å; S48-N89 VanDerWaalsContact OG-CB 3.29Å; S48-N89 WeakPolarHBondContact OG-CB 3.36Å; S48-N89 PolarHBondContact OG-N 3.02Å; S48-L97 VanDerWaalsContact O-CD1 3.3Å; S48-L97 WeakPolarHBondContact O-CD1 3.29Å; S48-V230 WeakPolarHBondContact CB-O 3.35Å; S48-V230 PolarHBondContact OG-O 3.1Å
49	N	98.3	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-49.6	176.4	-64.6	-16.8	0	0	0	111.7	R45 H46 I47 L51 S52 I53 Y145 T147 S231 D232 S235	R45-N49 WeakPolarHBondContact O-CB 3.45Å; R45-N49 PolarHBondContact O-N 3.18Å; R45-N49 PolarHBondContact O-ND2 3.24Å; R45-N49 PolarHBondContact O-OD1 2.96Å; R45-N49 VanDerWaalsContact O-OD1 3.07Å; H46-N49 WeakPolarHBondContact O-CB 3.43Å; H46-N49 PolarHBondContact O-N 3.26Å; I47-N49 VanDerWaalsContact C-N 3.32Å; I47-N49 PolarHBondContact O-N 3.23Å; N49-L51 VanDerWaalsContact C-N 3.31Å; N49-L51 PolarHBondContact O-N 3.49Å; N49-S52 VanDerWaalsContact O-CB 3.3Å; N49-S52 WeakPolarHBondContact O-CB 3.1Å; N49-S52 PolarHBondContact O-N 2.89Å; N49-S52 VanDerWaalsContact O-N 3.13Å; N49-I53 PolarHBondContact O-N 2.94Å; N49-Y145 WeakPolarHBondContact CB-OH 3.26Å; N49-T147 HydrophobicContact CB-CG2 4.08Å; N49-T147 PolarHBondContact ND2-OG1 2.94Å; N49-S231 WeakPolarHBondContact OD1-CA 3.41Å; N49-S231 PolarHBondContact OD1-OG 3.38Å; N49-D232 PolarHBondContact ND2-OD2 3.22Å; N49-D232 PolarHBondContact OD1-N 2.94Å; N49-S235 WeakPolarHBondContact OD1-CB 3.39Å
50	V	98.4	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-38.8	-179.4	81.1	0	0	0	0	111.5	L34 D36 H46 I47 S52 I53 Y54 L69 V71 Y145 T147	L34-V50 HydrophobicContact CB-CG2 3.5Å; D36-V50 HydrophobicContact CB-CB 4.21Å; D36-V50 HydrophobicContact CB-CG1 3.82Å; H46-V50 PolarHBondContact O-N 3.19Å; I47-V50 VanDerWaalsContact O-CG1 3.32Å; I47-V50 WeakPolarHBondContact O-CG1 3.21Å; I47-V50 PolarHBondContact O-N 2.98Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 3.3Å; V50-I53 PolarHBondContact O-N 3.4Å; V50-Y54 WeakPolarHBondContact O-CB 3.22Å; V50-Y54 PolarHBondContact O-N 2.9Å; V50-L69 HydrophobicContact CG1-CD1 4.13Å; V50-L69 HydrophobicContact CG2-CD1 3.79Å; V50-V71 HydrophobicContact CG1-CG2 4.32Å; V50-Y145 HydrophobicContact CB-CE1 4.31Å; V50-Y145 HydrophobicContact CG2-CD1 4.24Å; V50-Y145 HydrophobicContact CG2-CE1 4.34Å; V50-T147 HydrophobicContact CB-CG2 4.14Å
51	L	97.7	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.5	-27.1	176.7	-63.7	-173.7	0	0	0	113.1	I47 N49 R55 L69 I87 L97 Y98 I102	I47-L51 HydrophobicContact CD1-CD1 4.27Å; I47-L51 HydrophobicContact CG1-CD1 3.85Å; I47-L51 HydrophobicContact CG1-CG 4.04Å; I47-L51 WeakPolarHBondContact O-CB 3.45Å; I47-L51 WeakPolarHBondContact O-CG 3.42Å; I47-L51 PolarHBondContact O-N 3.33Å; N49-L51 VanDerWaalsContact C-N 3.31Å; N49-L51 PolarHBondContact O-N 3.49Å; L51-R55 VanDerWaalsContact O-CB 3.28Å; L51-R55 WeakPolarHBondContact O-CB 3.34Å; L51-R55 PolarHBondContact O-N 3.08Å; L51-L69 HydrophobicContact CD2-CD2 3.91Å; L51-I87 HydrophobicContact CD1-CB 4.01Å; L51-I87 HydrophobicContact CD1-CG1 3.96Å; L51-I87 HydrophobicContact CD1-CG2 4.13Å; L51-L97 HydrophobicContact CB-CB 3.81Å; L51-L97 HydrophobicContact CB-CD1 4.45Å; L51-Y98 HydrophobicContact CD1-CD2 3.99Å; L51-I102 HydrophobicContact CD1-CD1 4.14Å; L51-I102 HydrophobicContact CD2-CD1 3.36Å; L51-I102 HydrophobicContact CD2-CG1 4.41Å; L51-I102 HydrophobicContact CG-CD1 4.4Å
52	S	97.1	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.7	-46.2	171.5	-62.8	0	0	0	0	110.8	S48 N49 V50 S56 N89 L97 F239	S48-S52 WeakPolarHBondContact O-CB 3.34Å; S48-S52 PolarHBondContact O-N 2.89Å; S48-S52 PolarHBondContact O-OG 3.44Å; N49-S52 VanDerWaalsContact O-CB 3.3Å; N49-S52 WeakPolarHBondContact O-CB 3.1Å; N49-S52 PolarHBondContact O-N 2.89Å; N49-S52 VanDerWaalsContact O-N 3.13Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 3.3Å; S52-S56 PolarHBondContact O-N 3Å; S52-S56 VanDerWaalsContact O-N 3.16Å; S52-S56 PolarHBondContact O-OG 3.18Å; S52-N89 PolarHBondContact OG-ND2 3.28Å; S52-L97 VanDerWaalsContact OG-CD1 3.24Å; S52-L97 WeakPolarHBondContact OG-CD1 3.43Å; S52-F239 WeakPolarHBondContact O-CD2 3.39Å
53	I	98	Very high	97	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-46.2	176.1	-57.4	-55.8	0	0	0	111.1	L34 N49 V50 R55 S56 I57 L143 Y145 A238 L242 F289	L34-I53 HydrophobicContact CD1-CG2 4.34Å; L34-I53 HydrophobicContact CD2-CG2 3.75Å; N49-I53 PolarHBondContact O-N 2.94Å; V50-I53 PolarHBondContact O-N 3.4Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.13Å; I53-S56 PolarHBondContact O-N 3.23Å; I53-S56 VanDerWaalsContact O-N 3.1Å; I53-I57 HydrophobicContact CG2-CG2 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.49Å; I53-I57 PolarHBondContact O-N 3.24Å; I53-L143 HydrophobicContact CG2-CD2 4.25Å; I53-Y145 HydrophobicContact CB-CD1 4.33Å; I53-Y145 HydrophobicContact CG1-CD1 3.93Å; I53-Y145 HydrophobicContact CG1-CD2 4.07Å; I53-Y145 HydrophobicContact CG1-CE1 3.88Å; I53-Y145 HydrophobicContact CG1-CE2 4.01Å; I53-Y145 HydrophobicContact CG1-CG 4.03Å; I53-Y145 HydrophobicContact CG2-CG 4.45Å; I53-A238 HydrophobicContact CD1-CB 4.43Å; I53-L242 HydrophobicContact CD1-CD1 3.89Å; I53-F289 HydrophobicContact CG2-CE1 4.42Å
54	Y	98	Very high	97	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-52	-50	176.4	-179.7	-95.1	0	0	0	111.7	L34 V50 S56 I57 K58 D64 I67 L69 I102 E103	L34-Y54 HydrophobicContact CD1-CD2 4.07Å; L34-Y54 HydrophobicContact CD1-CG 4.4Å; V50-Y54 WeakPolarHBondContact O-CB 3.22Å; V50-Y54 PolarHBondContact O-N 2.9Å; Y54-S56 PolarHBondContact O-N 3.34Å; Y54-I57 WeakPolarHBondContact O-CG1 3.21Å; Y54-I57 PolarHBondContact O-N 2.73Å; Y54-K58 HydrophobicContact CD1-CD 3.89Å; Y54-K58 HydrophobicContact CD1-CG 4.46Å; Y54-K58 HydrophobicContact CE1-CD 3.24Å; Y54-K58 HydrophobicContact CE1-CG 4.2Å; Y54-K58 HydrophobicContact CE2-CD 4.25Å; Y54-K58 VanDerWaalsContact CZ-CD 3.46Å; Y54-K58 WeakPolarHBondContact O-CG 3.06Å; Y54-K58 PolarHBondContact O-N 3.04Å; Y54-D64 PolarHBondContact OH-OD1 3.14Å; Y54-I67 HydrophobicContact CD2-CD1 4.47Å; Y54-I67 HydrophobicContact CD2-CG2 3.73Å; Y54-I67 HydrophobicContact CE2-CB 4.45Å; Y54-I67 HydrophobicContact CE2-CD1 4.3Å; Y54-I67 HydrophobicContact CE2-CG2 3.84Å; Y54-L69 HydrophobicContact CD2-CB 4.43Å; Y54-L69 HydrophobicContact CD2-CD2 3.87Å; Y54-L69 HydrophobicContact CE2-CB 4.43Å; Y54-L69 HydrophobicContact CE2-CD2 3.97Å; Y54-L69 HydrophobicContact CG-CD2 4.34Å; Y54-I102 HydrophobicContact CE1-CB 4.47Å; Y54-I102 HydrophobicContact CE1-CG1 4.16Å; Y54-E103 PolarHBondContact OH-N 3.36Å
55	R	96	Very high	96.9	Very high	96 Å²	96	23.3 Å²	23.3	36%	0.362	12%	0.123	S	C	.	.	H	α-helix	trans	-58.8	-45.8	177.2	-179.6	179.7	177.3	82.6	4	111.8	L51 I53 R59	L51-R55 VanDerWaalsContact O-CB 3.28Å; L51-R55 WeakPolarHBondContact O-CB 3.34Å; L51-R55 PolarHBondContact O-N 3.08Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.13Å; R55-R59 WeakPolarHBondContact O-CB 3.46Å; R55-R59 PolarHBondContact O-N 3.44Å
56	S	96.4	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-43.2	-179.4	-66.4	0	0	0	0	112.5	S52 I53 Y54 R59 L60	S52-S56 PolarHBondContact O-N 3Å; S52-S56 VanDerWaalsContact O-N 3.16Å; S52-S56 PolarHBondContact O-OG 3.18Å; I53-S56 PolarHBondContact O-N 3.23Å; I53-S56 VanDerWaalsContact O-N 3.1Å; Y54-S56 PolarHBondContact O-N 3.34Å; S56-R59 PolarHBondContact O-N 3.35Å; S56-L60 VanDerWaalsContact O-CG 3.32Å; S56-L60 WeakPolarHBondContact O-CG 3.3Å; S56-L60 PolarHBondContact O-N 3.27Å
57	I	97	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.9	-36.7	179.5	63	173.8	0	0	0	112.6	A32 L34 I53 Y54 L60 G61 I62 I67 L143 F289	A32-I57 HydrophobicContact CB-CD1 3.46Å; A32-I57 VanDerWaalsContact CB-CD1 3.46Å; L34-I57 HydrophobicContact CD1-CD1 3.78Å; L34-I57 HydrophobicContact CG-CD1 4.41Å; I53-I57 HydrophobicContact CG2-CG2 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.49Å; I53-I57 PolarHBondContact O-N 3.24Å; Y54-I57 WeakPolarHBondContact O-CG1 3.21Å; Y54-I57 PolarHBondContact O-N 2.73Å; I57-L60 CarbonylContact O-C 3.54Å; I57-L60 PolarHBondContact O-N 2.95Å; I57-G61 PolarHBondContact O-N 2.89Å; I57-G61 VanDerWaalsContact O-N 3.09Å; I57-I62 HydrophobicContact CB-CB 4.48Å; I57-I62 HydrophobicContact CB-CD1 4.26Å; I57-I62 PolarHBondContact O-N 2.94Å; I57-I62 VanDerWaalsContact O-N 3.08Å; I57-I67 HydrophobicContact CD1-CB 4.46Å; I57-I67 HydrophobicContact CD1-CD1 3.53Å; I57-I67 HydrophobicContact CD1-CG1 3.66Å; I57-I67 HydrophobicContact CD1-CG2 3.96Å; I57-I67 HydrophobicContact CG1-CD1 3.8Å; I57-I67 HydrophobicContact CG1-CG1 4.45Å; I57-L143 HydrophobicContact CG2-CD2 4.13Å; I57-F289 HydrophobicContact CG2-CB 4.35Å; I57-F289 HydrophobicContact CG2-CD1 3.74Å; I57-F289 HydrophobicContact CG2-CG 4.47Å
58	K	95.6	Very high	97	Very high	52 Å²	52	26.2 Å²	26.2	23%	0.226	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-45	171.5	-75.6	-168.7	69.9	149.3	0	111.4	Y54 L60 G61 D64 I67 E101	Y54-K58 HydrophobicContact CD1-CD 3.89Å; Y54-K58 HydrophobicContact CD1-CG 4.46Å; Y54-K58 HydrophobicContact CE1-CD 3.24Å; Y54-K58 HydrophobicContact CE1-CG 4.2Å; Y54-K58 HydrophobicContact CE2-CD 4.25Å; Y54-K58 VanDerWaalsContact CZ-CD 3.46Å; Y54-K58 WeakPolarHBondContact O-CG 3.06Å; Y54-K58 PolarHBondContact O-N 3.04Å; K58-L60 PolarHBondContact O-N 3.38Å; K58-G61 WeakPolarHBondContact O-CA 3.26Å; K58-G61 PolarHBondContact O-N 3.3Å; K58-D64 WeakPolarHBondContact CD-OD1 3.47Å; K58-D64 WeakPolarHBondContact CE-OD1 3.48Å; K58-D64 IonicContact NZ-OD1 3.66Å; K58-D64 PolarHBondContact NZ-OD1 3.07Å; K58-D64 IonicContact NZ-OD2 3.4Å; K58-D64 PolarHBondContact NZ-OD2 2.9Å; K58-I67 HydrophobicContact CG-CD1 3.84Å; K58-E101 PolarHBondContact NZ-O 3.18Å
59	R	95	Very high	97	Very high	95 Å²	95	26.2 Å²	26.2	36%	0.358	13%	0.134	S	C	.	.	H	α-helix	trans	-59.5	-33.6	176	-174.2	177.6	63.3	70.1	13.5	112.2	R55 S56 G61 L242 E243 V245	R55-R59 WeakPolarHBondContact O-CB 3.46Å; R55-R59 PolarHBondContact O-N 3.44Å; S56-R59 PolarHBondContact O-N 3.35Å; R59-G61 VanDerWaalsContact C-N 3.26Å; R59-L242 PolarHBondContact NH2-O 2.93Å; R59-E243 IonicContact CZ-OE1 2.89Å; R59-E243 IonicContact NE-OE1 3.09Å; R59-E243 PolarHBondContact NE-OE1 2.93Å; R59-E243 IonicContact NH2-OE1 2.75Å; R59-E243 PolarHBondContact NH2-OE1 3.09Å; R59-V245 PolarHBondContact NH1-O 3.19Å; R59-V245 PolarHBondContact NH2-O 3.01Å
60	L	96.7	Very high	97	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.7	175.8	-64.3	171.3	0	0	0	113.6	S56 I57 K58 V245 P247 F289 S291	S56-L60 VanDerWaalsContact O-CG 3.32Å; S56-L60 WeakPolarHBondContact O-CG 3.3Å; S56-L60 PolarHBondContact O-N 3.27Å; I57-L60 CarbonylContact O-C 3.54Å; I57-L60 PolarHBondContact O-N 2.95Å; K58-L60 PolarHBondContact O-N 3.38Å; L60-V245 HydrophobicContact CD1-CG1 4.22Å; L60-V245 HydrophobicContact CD2-CG1 4.05Å; L60-P247 HydrophobicContact CD2-CG 4.47Å; L60-F289 VanDerWaalsContact CB-O 3.26Å; L60-F289 WeakPolarHBondContact CB-O 3.42Å; L60-F289 HydrophobicContact CD1-CB 3.83Å; L60-F289 WeakPolarHBondContact CD1-O 3.15Å; L60-S291 PolarHBondContact O-N 2.91Å; L60-S291 PolarHBondContact O-OG 2.93Å; L60-S291 VanDerWaalsContact O-OG 3.11Å
61	G	95.9	Very high	97	Very high	36 Å²	36	26.2 Å²	26.2	37%	0.371	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	7.4	164.4	0	0	0	0	0	115.8	I57 K58 R59 P63 S291	I57-G61 PolarHBondContact O-N 2.89Å; I57-G61 VanDerWaalsContact O-N 3.09Å; K58-G61 WeakPolarHBondContact O-CA 3.26Å; K58-G61 PolarHBondContact O-N 3.3Å; R59-G61 VanDerWaalsContact C-N 3.26Å; G61-P63 WeakPolarHBondContact O-CD 3.49Å; G61-S291 WeakPolarHBondContact O-CB 3.47Å
62	I	96.7	Very high	97	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.134	C	C	.	.			trans	-69.5	120.9	170.8	-57.6	-174.8	0	0	0	107.5	N30 I57 R66 I67	N30-I62 HydrophobicContact CB-CD1 3.73Å; N30-I62 HydrophobicContact CB-CG1 4.31Å; I57-I62 HydrophobicContact CB-CB 4.48Å; I57-I62 HydrophobicContact CB-CD1 4.26Å; I57-I62 PolarHBondContact O-N 2.94Å; I57-I62 VanDerWaalsContact O-N 3.08Å; I62-R66 HydrophobicContact CG2-CB 3.97Å; I62-I67 HydrophobicContact CB-CD1 4.44Å; I62-I67 HydrophobicContact CG2-CD1 4.13Å; I62-I67 HydrophobicContact CG2-CG1 3.75Å
63	P	95.9	Very high	96.9	Very high	57 Å²	57	28.9 Å²	28.9	37%	0.37	15%	0.149	S	C	.	.			trans	-76.7	157	-179.1	32.8	-36	0	0	0	111.5	G61 S65 R66	G61-P63 WeakPolarHBondContact O-CD 3.49Å; P63-S65 PolarHBondContact O-N 3.17Å; P63-S65 VanDerWaalsContact O-N 3.15Å; P63-R66 HydrophobicContact CG-CB 4.39Å; P63-R66 HydrophobicContact CG-CG 4.11Å; P63-R66 PolarHBondContact O-N 2.9Å
64	D	96.3	Very high	96.6	Very high	27 Å²	27	30.2 Å²	30.2	14%	0.144	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.8	-180	-63.1	-20.8	0	0	0	112.6	Y54 K58 R66 I67 E103	Y54-D64 PolarHBondContact OH-OD1 3.14Å; K58-D64 WeakPolarHBondContact CD-OD1 3.47Å; K58-D64 WeakPolarHBondContact CE-OD1 3.48Å; K58-D64 IonicContact NZ-OD1 3.66Å; K58-D64 PolarHBondContact NZ-OD1 3.07Å; K58-D64 IonicContact NZ-OD2 3.4Å; K58-D64 PolarHBondContact NZ-OD2 2.9Å; D64-R66 PolarHBondContact O-N 2.9Å; D64-I67 PolarHBondContact O-N 2.8Å; D64-I67 VanDerWaalsContact O-O 3.08Å; D64-E103 HydrophobicContact CB-CB 4.26Å; D64-E103 HydrophobicContact CB-CG 4.15Å; D64-E103 WeakPolarHBondContact CB-OE2 3.32Å
65	S	96	Very high	96.4	Very high	81 Å²	81	30.1 Å²	30.1	57%	0.566	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-60.9	-6.6	173.7	61.4	0	0	0	0	115.2	W31 P63	W31-S65 WeakPolarHBondContact CZ3-O 3.33Å; P63-S65 PolarHBondContact O-N 3.17Å; P63-S65 VanDerWaalsContact O-N 3.15Å
66	R	97.2	Very high	96.3	Very high	86 Å²	86	25.6 Å²	25.6	33%	0.325	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-122.3	12.1	175	-62	-174.3	-178.1	174.9	-3.5	113.5	N30 W31 A32 I62 P63 D64	N30-R66 WeakPolarHBondContact O-CD 3.31Å; W31-R66 CarbonylContact C-O 3.58Å; W31-R66 VanDerWaalsContact CA-O 3.32Å; W31-R66 WeakPolarHBondContact CA-O 3.36Å; W31-R66 HydrophobicContact CD2-CB 3.87Å; W31-R66 HydrophobicContact CD2-CG 4Å; W31-R66 VanDerWaalsContact CE3-CA 3.47Å; W31-R66 HydrophobicContact CE3-CB 3.86Å; W31-R66 HydrophobicContact CE3-CG 4.16Å; W31-R66 HydrophobicContact CG-CB 4.28Å; W31-R66 HydrophobicContact CH2-CG 4.06Å; W31-R66 HydrophobicContact CZ2-CG 3.93Å; W31-R66 HydrophobicContact CZ3-CB 4.24Å; W31-R66 HydrophobicContact CZ3-CG 4.19Å; A32-R66 PolarHBondContact N-O 2.9Å; I62-R66 HydrophobicContact CG2-CB 3.97Å; P63-R66 HydrophobicContact CG-CB 4.39Å; P63-R66 HydrophobicContact CG-CG 4.11Å; P63-R66 PolarHBondContact O-N 2.9Å; D64-R66 PolarHBondContact O-N 2.9Å
67	I	98.3	Very high	96.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119	178.7	-57	168.8	0	0	0	107	A32 L34 Y54 I57 K58 I62 D64	A32-I67 HydrophobicContact CB-CG1 4.37Å; A32-I67 HydrophobicContact CB-CG2 4.33Å; A32-I67 CarbonylContact O-C 3.49Å; A32-I67 WeakPolarHBondContact O-CA 3.42Å; L34-I67 HydrophobicContact CD1-CG2 4.02Å; L34-I67 HydrophobicContact CG-CG2 4.28Å; Y54-I67 HydrophobicContact CD2-CD1 4.47Å; Y54-I67 HydrophobicContact CD2-CG2 3.73Å; Y54-I67 HydrophobicContact CE2-CB 4.45Å; Y54-I67 HydrophobicContact CE2-CD1 4.3Å; Y54-I67 HydrophobicContact CE2-CG2 3.84Å; I57-I67 HydrophobicContact CD1-CB 4.46Å; I57-I67 HydrophobicContact CD1-CD1 3.53Å; I57-I67 HydrophobicContact CD1-CG1 3.66Å; I57-I67 HydrophobicContact CD1-CG2 3.96Å; I57-I67 HydrophobicContact CG1-CD1 3.8Å; I57-I67 HydrophobicContact CG1-CG1 4.45Å; K58-I67 HydrophobicContact CG-CD1 3.84Å; I62-I67 HydrophobicContact CB-CD1 4.44Å; I62-I67 HydrophobicContact CG2-CD1 4.13Å; I62-I67 HydrophobicContact CG2-CG1 3.75Å; D64-I67 PolarHBondContact O-N 2.8Å; D64-I67 VanDerWaalsContact O-O 3.08Å
68	I	98.7	Very high	96	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.1	168.3	-54.1	-58.9	0	0	0	107.9	A32 V33 L34 M70 D105 Y106 V119 S131	A32-I68 PolarHBondContact O-N 3.17Å; V33-I68 WeakPolarHBondContact CA-O 3.28Å; V33-I68 HydrophobicContact CG1-CB 4.44Å; V33-I68 HydrophobicContact CG2-CB 4.38Å; L34-I68 PolarHBondContact N-O 3.08Å; I68-M70 HydrophobicContact CG2-CG 4.25Å; I68-D105 WeakPolarHBondContact CA-OD2 3.28Å; I68-D105 HydrophobicContact CG2-CB 4.31Å; I68-Y106 HydrophobicContact CG2-CD2 4.06Å; I68-Y106 HydrophobicContact CG2-CE2 3.96Å; I68-V119 HydrophobicContact CG1-CG1 4.26Å; I68-V119 HydrophobicContact CG2-CG1 4.18Å; I68-S131 WeakPolarHBondContact CD1-O 3.3Å
69	L	98.5	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.5	178.4	-179.6	61.1	0	0	0	111.1	L34 V50 L51 Y54 V71 I102 I104 D105 Y106	L34-L69 HydrophobicContact CB-CD1 3.93Å; V50-L69 HydrophobicContact CG1-CD1 4.13Å; V50-L69 HydrophobicContact CG2-CD1 3.79Å; L51-L69 HydrophobicContact CD2-CD2 3.91Å; Y54-L69 HydrophobicContact CD2-CB 4.43Å; Y54-L69 HydrophobicContact CD2-CD2 3.87Å; Y54-L69 HydrophobicContact CE2-CB 4.43Å; Y54-L69 HydrophobicContact CE2-CD2 3.97Å; Y54-L69 HydrophobicContact CG-CD2 4.34Å; L69-V71 HydrophobicContact CD1-CG2 4.04Å; L69-V71 HydrophobicContact CD2-CG2 4.36Å; L69-V71 HydrophobicContact CG-CG2 3.99Å; L69-I102 HydrophobicContact CD2-CD1 4.01Å; L69-I102 HydrophobicContact CD2-CG1 3.99Å; L69-I104 HydrophobicContact CD2-CB 4.44Å; L69-I104 HydrophobicContact CD2-CG1 3.91Å; L69-I104 HydrophobicContact CG-CG2 4.41Å; L69-D105 PolarHBondContact N-OD2 3.01Å; L69-D105 PolarHBondContact O-N 2.93Å; L69-Y106 PolarHBondContact O-N 3.22Å; L69-Y106 VanDerWaalsContact O-N 3.09Å
70	M	98.6	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.1	177.7	-52.1	-173.2	77.2	0	0	109.4	L34 V35 D36 I68 Y106 V111 N115 F116	L34-M70 PolarHBondContact O-N 2.62Å; V35-M70 WeakPolarHBondContact CA-O 3.48Å; V35-M70 HydrophobicContact CB-CB 4.44Å; V35-M70 HydrophobicContact CG1-CB 4.06Å; V35-M70 HydrophobicContact CG1-SD 4.5Å; V35-M70 HydrophobicContact CG2-CB 4.31Å; V35-M70 HydrophobicContact CG2-CG 4.35Å; V35-M70 HydrophobicContact CG2-SD 4.07Å; D36-M70 PolarHBondContact N-O 2.71Å; I68-M70 HydrophobicContact CG2-CG 4.25Å; M70-Y106 WeakPolarHBondContact CA-O 3.44Å; M70-Y106 HydrophobicContact CE-CD1 3.93Å; M70-Y106 HydrophobicContact CE-CD2 4.09Å; M70-Y106 HydrophobicContact CE-CG 3.67Å; M70-Y106 HydrophobicContact CG-CD2 3.92Å; M70-Y106 HydrophobicContact CG-CG 4.14Å; M70-Y106 HydrophobicContact SD-CD2 4.47Å; M70-V111 HydrophobicContact CB-CG1 4.06Å; M70-V111 HydrophobicContact CB-CG2 3.95Å; M70-V111 HydrophobicContact CE-CG1 4.38Å; M70-N115 HydrophobicContact CE-CB 4.26Å; M70-F116 HydrophobicContact CE-CB 4.28Å; M70-F116 HydrophobicContact SD-CB 4.17Å; M70-F116 HydrophobicContact SD-CD2 4.03Å
71	V	97.9	Very high	95.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112	-179.1	177.9	0	0	0	0	110.2	I47 V50 L69 I104 Y106 G108 V111	I47-V71 HydrophobicContact CB-CG1 4.4Å; I47-V71 HydrophobicContact CD1-CG1 3.58Å; I47-V71 HydrophobicContact CG1-CG1 3.9Å; V50-V71 HydrophobicContact CG1-CG2 4.32Å; L69-V71 HydrophobicContact CD1-CG2 4.04Å; L69-V71 HydrophobicContact CD2-CG2 4.36Å; L69-V71 HydrophobicContact CG-CG2 3.99Å; V71-I104 HydrophobicContact CB-CD1 4.47Å; V71-I104 HydrophobicContact CB-CG2 4Å; V71-I104 HydrophobicContact CG2-CD1 4.29Å; V71-I104 HydrophobicContact CG2-CG1 4.38Å; V71-I104 HydrophobicContact CG2-CG2 3.95Å; V71-Y106 PolarHBondContact N-O 3.11Å; V71-G108 PolarHBondContact O-N 3.05Å; V71-V111 WeakPolarHBondContact O-CG2 3.44Å
72	A	97.3	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-67.7	-33	-176	0	0	0	0	0	113.7	D36 S38 R39 G108 V111	D36-A72 VanDerWaalsContact O-CB 3.25Å; D36-A72 WeakPolarHBondContact O-CB 3.35Å; D36-A72 PolarHBondContact O-N 2.78Å; D36-A72 VanDerWaalsContact O-N 3.11Å; S38-A72 WeakPolarHBondContact O-CB 3.47Å; R39-A72 HydrophobicContact CG-CB 4.42Å; A72-G108 VanDerWaalsContact O-CA 3.31Å; A72-G108 WeakPolarHBondContact O-CA 3.44Å; A72-V111 HydrophobicContact CB-CB 4.36Å; A72-V111 HydrophobicContact CB-CG1 4.23Å
73	D	94.5	Very high	95.6	Very high	56 Å²	56	44.9 Å²	44.9	30%	0.299	25%	0.248	S	C	.	.	S	Bend	trans	-147.7	120.1	174.5	-164.8	11.5	0	0	0	111.6	R39 F40 A75	R39-D73 HydrophobicContact CB-CB 4.27Å; R39-D73 HydrophobicContact CG-CB 4.34Å; F40-D73 WeakPolarHBondContact CA-OD2 3.45Å; F40-D73 PolarHBondContact N-OD2 2.97Å; D73-A75 PolarHBondContact O-N 3.28Å
74	D	92	Very high	95.4	Very high	30 Å²	30	47 Å²	47	16%	0.16	26%	0.262	C	S	.	.			trans	-83.2	88.9	-175.3	-167.7	-16.2	0	0	0	111.2	S76 C77 Y98	D74-S76 PolarHBondContact O-N 3.36Å; D74-S76 VanDerWaalsContact O-N 3.11Å; D74-S76 WeakPolarHBondContact OD1-CB 3.41Å; D74-S76 PolarHBondContact OD1-N 2.87Å; D74-S76 PolarHBondContact OD1-OG 2.81Å; D74-C77 PolarHBondContact O-N 2.98Å; D74-Y98 PolarHBondContact OD2-OH 3.4Å
75	A	94.3	Very high	95.2	Very high	7 Å²	7	48.3 Å²	48.3	6%	0.058	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.1	-16.1	178.6	0	0	0	0	0	113.4	W41 Y44 I47 D73 C77 S78 N81 I87	W41-A75 HydrophobicContact CE3-CB 4.28Å; W41-A75 HydrophobicContact CZ3-CB 3.88Å; Y44-A75 HydrophobicContact CD2-CB 3.7Å; Y44-A75 HydrophobicContact CE2-CB 4.13Å; I47-A75 HydrophobicContact CG2-CB 3.86Å; D73-A75 PolarHBondContact O-N 3.28Å; A75-C77 VanDerWaalsContact C-N 3.27Å; A75-C77 PolarHBondContact O-N 2.98Å; A75-S78 PolarHBondContact O-N 3.36Å; A75-N81 WeakPolarHBondContact O-CB 3.46Å; A75-N81 PolarHBondContact O-ND2 2.85Å; A75-I87 HydrophobicContact CB-CD1 3.8Å
76	S	93.2	Very high	95.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-70.1	-29.2	178.8	81.5	0	0	0	0	111.8	D74 A85 Y98	D74-S76 PolarHBondContact O-N 3.36Å; D74-S76 VanDerWaalsContact O-N 3.11Å; D74-S76 WeakPolarHBondContact OD1-CB 3.41Å; D74-S76 PolarHBondContact OD1-N 2.87Å; D74-S76 PolarHBondContact OD1-OG 2.81Å; S76-A85 PolarHBondContact O-N 2.99Å; S76-Y98 WeakPolarHBondContact OG-CE2 3.32Å
77	C	92.5	Very high	95.1	Very high	100 Å²	100	41.5 Å²	41.5	68%	0.676	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-97.5	1	178.6	-63.3	0	0	0	0	113.3	D74 A75	D74-C77 PolarHBondContact O-N 2.98Å; A75-C77 VanDerWaalsContact C-N 3.27Å; A75-C77 PolarHBondContact O-N 2.98Å
78	S	94.2	Very high	95	Very high	36 Å²	36	42 Å²	42	25%	0.252	24%	0.243	S	C	.	.			trans	-67.9	137.7	-180	-170.6	0	0	0	0	111.4	A75 R80 N81	A75-S78 PolarHBondContact O-N 3.36Å; S78-R80 PolarHBondContact O-N 2.97Å; S78-R80 VanDerWaalsContact O-N 3.11Å; S78-R80 PolarHBondContact OG-N 2.81Å; S78-N81 WeakPolarHBondContact O-CB 3.34Å; S78-N81 PolarHBondContact O-N 3.47Å
79	S	95.3	Very high	94.7	Very high	127 Å²	127	42 Å²	42	89%	0.888	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.1	171.6	58.1	0	0	0	0	113.6
80	R	95.3	Very high	94.4	Very high	170 Å²	170	42.9 Å²	42.9	64%	0.642	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.8	174.1	-64.9	-178.5	178.1	-149.5	1.7	113.1	W41 S78 P82	W41-R80 HydrophobicContact CD2-CB 3.57Å; W41-R80 HydrophobicContact CD2-CG 4.46Å; W41-R80 HydrophobicContact CE3-CB 3.88Å; W41-R80 HydrophobicContact CG-CB 3.96Å; W41-R80 HydrophobicContact CG-CG 4.4Å; W41-R80 HydrophobicContact CH2-CB 4.45Å; W41-R80 HydrophobicContact CZ2-CB 4.13Å; W41-R80 WeakPolarHBondContact CZ2-O 3.5Å; W41-R80 HydrophobicContact CZ3-CB 4.31Å; S78-R80 PolarHBondContact O-N 2.97Å; S78-R80 VanDerWaalsContact O-N 3.11Å; S78-R80 PolarHBondContact OG-N 2.81Å; R80-P82 VanDerWaalsContact O-CD 3.23Å; R80-P82 WeakPolarHBondContact O-CD 3.15Å
81	N	95.1	Very high	93.8	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.048	25%	0.252	C	S	.	.			trans	-74.5	112.6	-179.1	-166.8	-18.6	0	0	0	110	W41 A75 S78 R83 T86	W41-N81 HydrophobicContact CH2-CB 3.53Å; W41-N81 HydrophobicContact CZ3-CB 3.83Å; A75-N81 WeakPolarHBondContact O-CB 3.46Å; A75-N81 PolarHBondContact O-ND2 2.85Å; S78-N81 WeakPolarHBondContact O-CB 3.34Å; S78-N81 PolarHBondContact O-N 3.47Å; N81-R83 PolarHBondContact ND2-O 2.64Å; N81-R83 PolarHBondContact O-N 3.32Å; N81-R83 VanDerWaalsContact O-N 3.07Å; N81-R83 PolarHBondContact OD1-N 2.82Å; N81-R83 PolarHBondContact OD1-O 3.4Å; N81-R83 VanDerWaalsContact OD1-O 3.04Å; N81-T86 PolarHBondContact ND2-O 3.11Å
82	P	93.9	Very high	93.2	Very high	65 Å²	65	53.3 Å²	53.3	42%	0.422	29%	0.29	S	S	.	.	S	Bend	trans	-65.5	-13.2	179.6	30.5	-38.2	0	0	0	112.3	R80 E225 I226	R80-P82 VanDerWaalsContact O-CD 3.23Å; R80-P82 WeakPolarHBondContact O-CD 3.15Å; P82-E225 HydrophobicContact CG-CB 4.35Å; P82-I226 HydrophobicContact CG-CG1 4.35Å
83	R	91.8	Very high	92.1	Very high	84 Å²	84	56.7 Å²	56.7	32%	0.317	31%	0.314	S	S	.	.	S	Bend	trans	-132.5	83.4	-178.7	-63.1	170.9	-175.1	-129.5	-9.7	109.1	N81 T86 F88 R94 E225	N81-R83 PolarHBondContact ND2-O 2.64Å; N81-R83 PolarHBondContact O-N 3.32Å; N81-R83 VanDerWaalsContact O-N 3.07Å; N81-R83 PolarHBondContact OD1-N 2.82Å; N81-R83 PolarHBondContact OD1-O 3.4Å; N81-R83 VanDerWaalsContact OD1-O 3.04Å; R83-T86 HydrophobicContact CB-CG2 4.45Å; R83-T86 WeakPolarHBondContact CB-OG1 3.29Å; R83-T86 PolarHBondContact O-N 3.19Å; R83-T86 PolarHBondContact O-OG1 3.24Å; R83-F88 HydrophobicContact CB-CE2 4.42Å; R83-R94 VanDerWaalsContact CZ-CZ 3.45Å; R83-R94 VanDerWaalsContact NH2-CZ 3.35Å; R83-E225 IonicContact CZ-OE2 3.33Å; R83-E225 IonicContact NE-OE2 3.13Å; R83-E225 PolarHBondContact NE-OE2 3.16Å; R83-E225 VanDerWaalsContact NE-OE2 3.13Å; R83-E225 IonicContact NH2-OE1 3.46Å; R83-E225 PolarHBondContact NH2-OE1 3.22Å; R83-E225 IonicContact NH2-OE2 2.73Å; R83-E225 PolarHBondContact NH2-OE2 3.38Å
84	P	92.1	Very high	91.2	Very high	101 Å²	101	58.1 Å²	58.1	66%	0.656	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	147.7	-177.9	-27	35.1	0	0	0	112.9	T86	P84-T86 PolarHBondContact O-N 3.41Å
85	A	93.1	Very high	91	Very high	55 Å²	55	58.8 Å²	58.8	46%	0.455	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	23.9	-178.4	0	0	0	0	0	114.5	S76 N96	S76-A85 PolarHBondContact O-N 2.99Å; A85-N96 PolarHBondContact O-ND2 3.43Å
86	T	94.4	Very high	91	Very high	25 Å²	25	60.9 Å²	60.9	15%	0.153	33%	0.33	C	S	.	.			trans	-129.9	144.1	175	73.8	0	0	0	0	112.9	N81 R83 P84 F88 N96	N81-T86 PolarHBondContact ND2-O 3.11Å; R83-T86 HydrophobicContact CB-CG2 4.45Å; R83-T86 WeakPolarHBondContact CB-OG1 3.29Å; R83-T86 PolarHBondContact O-N 3.19Å; R83-T86 PolarHBondContact O-OG1 3.24Å; P84-T86 PolarHBondContact O-N 3.41Å; T86-F88 HydrophobicContact CG2-CZ 4.19Å; T86-F88 WeakPolarHBondContact OG1-CE2 3.4Å; T86-N96 VanDerWaalsContact CA-OD1 3.31Å; T86-N96 WeakPolarHBondContact CA-OD1 3.37Å
87	I	95.9	Very high	91.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.332	C	S	.	.			trans	-131.2	135.6	170	-61	-67.2	0	0	0	109.1	Y44 I47 L51 A75 N96 L97 Y98	Y44-I87 HydrophobicContact CD2-CD1 4.41Å; Y44-I87 HydrophobicContact CE1-CG2 4.19Å; Y44-I87 HydrophobicContact CE2-CD1 3.65Å; Y44-I87 VanDerWaalsContact OH-CA 3.25Å; Y44-I87 WeakPolarHBondContact OH-CA 3.2Å; I47-I87 HydrophobicContact CD1-CD1 4.32Å; I47-I87 HydrophobicContact CD1-CG1 4.38Å; I47-I87 HydrophobicContact CG2-CD1 4.32Å; L51-I87 HydrophobicContact CD1-CB 4.01Å; L51-I87 HydrophobicContact CD1-CG1 3.96Å; L51-I87 HydrophobicContact CD1-CG2 4.13Å; A75-I87 HydrophobicContact CB-CD1 3.8Å; I87-N96 PolarHBondContact N-OD1 2.92Å; I87-N96 VanDerWaalsContact N-OD1 3.14Å; I87-L97 HydrophobicContact CB-CB 4.42Å; I87-L97 HydrophobicContact CG2-CB 4.42Å; I87-L97 HydrophobicContact CG2-CD1 4.42Å; I87-L97 PolarHBondContact O-N 3.47Å; I87-Y98 HydrophobicContact CG1-CD2 4.15Å
88	F	95.7	Very high	91	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.053	31%	0.306	C	S	.	.			trans	-128.1	143.3	-178.9	-57.8	-69.1	0	0	0	110.9	Y44 S48 R83 T86 R94 V95 N96 I226 V230	Y44-F88 WeakPolarHBondContact CE1-O 3.33Å; Y44-F88 PolarHBondContact OH-N 3.28Å; S48-F88 PolarHBondContact OG-O 3.01Å; R83-F88 HydrophobicContact CB-CE2 4.42Å; T86-F88 HydrophobicContact CG2-CZ 4.19Å; T86-F88 WeakPolarHBondContact OG1-CE2 3.4Å; F88-R94 HydrophobicContact CD1-CB 3.63Å; F88-R94 HydrophobicContact CD1-CG 4.02Å; F88-R94 HydrophobicContact CE1-CB 3.61Å; F88-R94 HydrophobicContact CE1-CG 4.25Å; F88-R94 HydrophobicContact CG-CB 4.37Å; F88-R94 HydrophobicContact CG-CG 4.27Å; F88-R94 HydrophobicContact CZ-CB 4.33Å; F88-V95 WeakPolarHBondContact CD1-O 3.39Å; F88-N96 HydrophobicContact CE1-CB 4.12Å; F88-I226 HydrophobicContact CD2-CD1 4.36Å; F88-V230 WeakPolarHBondContact O-CB 3.4Å
89	N	93.9	Very high	90.5	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	-102.3	1	170.9	62.4	4.8	0	0	0	113.9	S48 S52 L97 F239	S48-N89 VanDerWaalsContact OG-CA 3.22Å; S48-N89 WeakPolarHBondContact OG-CA 3.44Å; S48-N89 VanDerWaalsContact OG-CB 3.29Å; S48-N89 WeakPolarHBondContact OG-CB 3.36Å; S48-N89 PolarHBondContact OG-N 3.02Å; S52-N89 PolarHBondContact OG-ND2 3.28Å; N89-L97 HydrophobicContact CB-CD1 3.78Å; N89-F239 WeakPolarHBondContact ND2-CD1 3.35Å; N89-F239 VanDerWaalsContact ND2-CE1 3.26Å; N89-F239 WeakPolarHBondContact ND2-CE1 3.25Å
90	N	92.7	Very high	89.7	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.091	31%	0.312	C	S	.	.			trans	-149.2	126.5	-178.3	-173.3	-26.9	0	0	0	110.4	Y92 S93 Y236	N90-Y92 VanDerWaalsContact C-N 3.28Å; N90-Y92 PolarHBondContact O-N 3.1Å; N90-Y92 PolarHBondContact OD1-N 3.08Å; N90-S93 PolarHBondContact OD1-N 3.47Å; N90-Y236 HydrophobicContact CB-CE2 4.27Å; N90-Y236 PolarHBondContact ND2-OH 3.06Å
91	P	85.5	Confident	89.2	Confident	14 Å²	14	60.3 Å²	60.3	9%	0.091	32%	0.315	C	S	.	.	S	Bend	trans	-66.5	-27.9	179.9	23.8	-33	0	0	0	113.4	R94 H221 D223	P91-R94 PolarHBondContact O-NE 3.32Å; P91-H221 HydrophobicContact CG-CB 4.15Å; P91-D223 WeakPolarHBondContact CA-OD2 3.3Å; P91-D223 HydrophobicContact CB-CB 3.91Å; P91-D223 WeakPolarHBondContact CB-OD2 3.31Å
92	Y	84.6	Confident	89.1	Confident	206 Å²	206	61 Å²	61	81%	0.808	32%	0.318	S	S	*	.	S	Bend	trans	-99.4	-33.3	-173.3	-52.8	-65.5	0	0	0	113.2	N90	N90-Y92 VanDerWaalsContact C-N 3.28Å; N90-Y92 PolarHBondContact O-N 3.1Å; N90-Y92 PolarHBondContact OD1-N 3.08Å
93	S	75.1	Confident	89.1	Confident	71 Å²	71	62.4 Å²	62.4	50%	0.497	32%	0.319	S	S	.	.	S	Bend	trans	-113.6	84	177.7	-169.2	0	0	0	0	109.6	N90 V95	N90-S93 PolarHBondContact OD1-N 3.47Å; S93-V95 PolarHBondContact O-N 3.5Å
94	R	75.6	Confident	89.3	Confident	87 Å²	87	58.8 Å²	58.8	33%	0.328	31%	0.306	S	S	.	.			trans	-82.9	76.8	-168.3	-71.9	-175.7	172.3	149.2	-14.2	112.1	R83 F88 P91 D223 E225	R83-R94 VanDerWaalsContact CZ-CZ 3.45Å; R83-R94 VanDerWaalsContact NH2-CZ 3.35Å; F88-R94 HydrophobicContact CD1-CB 3.63Å; F88-R94 HydrophobicContact CD1-CG 4.02Å; F88-R94 HydrophobicContact CE1-CB 3.61Å; F88-R94 HydrophobicContact CE1-CG 4.25Å; F88-R94 HydrophobicContact CG-CB 4.37Å; F88-R94 HydrophobicContact CG-CG 4.27Å; F88-R94 HydrophobicContact CZ-CB 4.33Å; P91-R94 PolarHBondContact O-NE 3.32Å; R94-D223 IonicContact NH2-OD2 3.47Å; R94-D223 PolarHBondContact NH2-OD2 2.92Å; R94-E225 IonicContact CZ-OE1 3.96Å; R94-E225 IonicContact NH1-OE1 2.84Å; R94-E225 PolarHBondContact NH1-OE1 2.77Å; R94-E225 IonicContact NH2-OE1 3.7Å; R94-E225 PolarHBondContact NH2-OE1 2.93Å; R94-E225 IonicContact NH2-OE2 3.01Å; R94-E225 PolarHBondContact NH2-OE2 2.79Å
95	V	88	Confident	89.6	Confident	44 Å²	44	54.5 Å²	54.5	27%	0.267	28%	0.277	S	S	.	.			trans	-77.1	117.5	163.3	178.5	0	0	0	0	108.1	F88 S93 L97	F88-V95 WeakPolarHBondContact CD1-O 3.39Å; S93-V95 PolarHBondContact O-N 3.5Å; V95-L97 HydrophobicContact CG1-CD2 4.36Å; V95-L97 PolarHBondContact O-N 3.27Å; V95-L97 VanDerWaalsContact O-N 3.1Å
96	N	93.5	Very high	89.8	Confident	50 Å²	50	52.1 Å²	52.1	27%	0.267	26%	0.257	S	S	.	.			trans	-69.2	108.2	172.6	-176.8	11.5	0	0	0	109.3	A85 T86 I87 F88 Y98 G99	A85-N96 PolarHBondContact O-ND2 3.43Å; T86-N96 VanDerWaalsContact CA-OD1 3.31Å; T86-N96 WeakPolarHBondContact CA-OD1 3.37Å; I87-N96 PolarHBondContact N-OD1 2.92Å; I87-N96 VanDerWaalsContact N-OD1 3.14Å; F88-N96 HydrophobicContact CE1-CB 4.12Å; N96-Y98 VanDerWaalsContact C-N 3.34Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.41Å; N96-Y98 PolarHBondContact OD1-N 2.99Å; N96-G99 PolarHBondContact ND2-N 3.2Å
97	L	94.1	Very high	89.9	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	27%	0.27	C	S	.	.	S	Bend	trans	-76.1	-24.2	179.6	-61.4	178	0	0	0	112.8	S48 L51 S52 I87 N89 V95 F239	S48-L97 VanDerWaalsContact O-CD1 3.3Å; S48-L97 WeakPolarHBondContact O-CD1 3.29Å; L51-L97 HydrophobicContact CB-CB 3.81Å; L51-L97 HydrophobicContact CB-CD1 4.45Å; S52-L97 VanDerWaalsContact OG-CD1 3.24Å; S52-L97 WeakPolarHBondContact OG-CD1 3.43Å; I87-L97 HydrophobicContact CB-CB 4.42Å; I87-L97 HydrophobicContact CG2-CB 4.42Å; I87-L97 HydrophobicContact CG2-CD1 4.42Å; I87-L97 PolarHBondContact O-N 3.47Å; N89-L97 HydrophobicContact CB-CD1 3.78Å; V95-L97 HydrophobicContact CG1-CD2 4.36Å; V95-L97 PolarHBondContact O-N 3.27Å; V95-L97 VanDerWaalsContact O-N 3.1Å; L97-F239 HydrophobicContact CD2-CE2 4.45Å; L97-F239 HydrophobicContact CD2-CZ 4.34Å
98	Y	91.2	Very high	89.9	Confident	37 Å²	37	57.5 Å²	57.5	15%	0.145	28%	0.28	C	S	.	.	S	Bend	trans	-72.8	-47.8	179.1	-162.7	-97.8	0	0	0	110.8	L51 D74 S76 I87 N96 I102 I104	L51-Y98 HydrophobicContact CD1-CD2 3.99Å; D74-Y98 PolarHBondContact OD2-OH 3.4Å; S76-Y98 WeakPolarHBondContact OG-CE2 3.32Å; I87-Y98 HydrophobicContact CG1-CD2 4.15Å; N96-Y98 VanDerWaalsContact C-N 3.34Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.41Å; N96-Y98 PolarHBondContact OD1-N 2.99Å; Y98-I102 HydrophobicContact CD1-CG2 3.94Å; Y98-I102 HydrophobicContact CD2-CD1 3.82Å; Y98-I102 HydrophobicContact CD2-CG2 4.26Å; Y98-I102 HydrophobicContact CE1-CG2 3.66Å; Y98-I102 HydrophobicContact CE2-CD1 3.82Å; Y98-I102 HydrophobicContact CE2-CG2 4Å; Y98-I102 HydrophobicContact CG-CG2 4.22Å; Y98-I102 VanDerWaalsContact O-CB 3.32Å; Y98-I102 WeakPolarHBondContact O-CB 3.33Å; Y98-I102 WeakPolarHBondContact O-CG2 3.31Å; Y98-I104 HydrophobicContact CE2-CD1 4.32Å
99	G	83.4	Confident	89.9	Confident	32 Å²	32	66 Å²	66	33%	0.33	31%	0.313	S	S	.	.			trans	60	-167.9	176.7	0	0	0	0	0	113.9	N96	N96-G99 PolarHBondContact ND2-N 3.2Å
100	E	78.7	Confident	90	Very high	199 Å²	199	69.4 Å²	69.4	93%	0.93	33%	0.329	S	S	*	.	S	Bend	trans	-95.8	-22	179.6	-64.9	-179.3	177.1	0	0	112.9
101	E	84.7	Confident	90.2	Very high	149 Å²	149	68.6 Å²	68.6	70%	0.696	33%	0.325	S	S	*	.			trans	-115.1	41	-170.5	-58.9	-179	168.6	0	0	112.4	K58	K58-E101 PolarHBondContact NZ-O 3.18Å
102	I	92.5	Very high	90.8	Very high	23 Å²	23	70 Å²	70	12%	0.118	33%	0.333	C	S	.	.			trans	-86.6	128.4	173.9	-175.7	178.2	0	0	0	110.9	L51 Y54 L69 Y98 I104	L51-I102 HydrophobicContact CD1-CD1 4.14Å; L51-I102 HydrophobicContact CD2-CD1 3.36Å; L51-I102 HydrophobicContact CD2-CG1 4.41Å; L51-I102 HydrophobicContact CG-CD1 4.4Å; Y54-I102 HydrophobicContact CE1-CB 4.47Å; Y54-I102 HydrophobicContact CE1-CG1 4.16Å; L69-I102 HydrophobicContact CD2-CD1 4.01Å; L69-I102 HydrophobicContact CD2-CG1 3.99Å; Y98-I102 HydrophobicContact CD1-CG2 3.94Å; Y98-I102 HydrophobicContact CD2-CD1 3.82Å; Y98-I102 HydrophobicContact CD2-CG2 4.26Å; Y98-I102 HydrophobicContact CE1-CG2 3.66Å; Y98-I102 HydrophobicContact CE2-CD1 3.82Å; Y98-I102 HydrophobicContact CE2-CG2 4Å; Y98-I102 HydrophobicContact CG-CG2 4.22Å; Y98-I102 VanDerWaalsContact O-CB 3.32Å; Y98-I102 WeakPolarHBondContact O-CB 3.33Å; Y98-I102 WeakPolarHBondContact O-CG2 3.31Å; I102-I104 HydrophobicContact CD1-CD1 4.1Å; I102-I104 HydrophobicContact CD1-CG1 3.81Å; I102-I104 HydrophobicContact CG1-CG1 3.97Å
103	E	95.1	Very high	91.5	Very high	95 Å²	95	61.1 Å²	61.1	44%	0.444	30%	0.3	S	S	.	.			trans	-110.7	104.6	172.8	-64	-166.7	179.8	0	0	108.7	Y54 D64	Y54-E103 PolarHBondContact OH-N 3.36Å; D64-E103 HydrophobicContact CB-CB 4.26Å; D64-E103 HydrophobicContact CB-CG 4.15Å; D64-E103 WeakPolarHBondContact CB-OE2 3.32Å
104	I	96.1	Very high	92.6	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.041	30%	0.301	C	S	.	.			trans	-94.8	119.4	171.9	-48.6	169.9	0	0	0	108.3	L69 V71 Y98 I102 Y106 R107	L69-I104 HydrophobicContact CD2-CB 4.44Å; L69-I104 HydrophobicContact CD2-CG1 3.91Å; L69-I104 HydrophobicContact CG-CG2 4.41Å; V71-I104 HydrophobicContact CB-CD1 4.47Å; V71-I104 HydrophobicContact CB-CG2 4Å; V71-I104 HydrophobicContact CG2-CD1 4.29Å; V71-I104 HydrophobicContact CG2-CG1 4.38Å; V71-I104 HydrophobicContact CG2-CG2 3.95Å; Y98-I104 HydrophobicContact CE2-CD1 4.32Å; I102-I104 HydrophobicContact CD1-CD1 4.1Å; I102-I104 HydrophobicContact CD1-CG1 3.81Å; I102-I104 HydrophobicContact CG1-CG1 3.97Å; I104-Y106 WeakPolarHBondContact CG2-O 3.27Å; I104-R107 HydrophobicContact CB-CG 3.9Å; I104-R107 HydrophobicContact CD1-CG 4.47Å; I104-R107 HydrophobicContact CG2-CG 3.46Å; I104-R107 VanDerWaalsContact CG2-CG 3.46Å; I104-R107 PolarHBondContact O-NH1 3.12Å; I104-R107 PolarHBondContact O-NH2 3.04Å
105	D	97.5	Very high	93.6	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.053	29%	0.294	C	S	.	.	S	Bend	trans	-82.1	-43.2	-178	-63.2	-70.5	0	0	0	112.4	I68 L69 K132	I68-D105 WeakPolarHBondContact CA-OD2 3.28Å; I68-D105 HydrophobicContact CG2-CB 4.31Å; L69-D105 PolarHBondContact N-OD2 3.01Å; L69-D105 PolarHBondContact O-N 2.93Å; D105-K132 HydrophobicContact CB-CG 4.22Å; D105-K132 WeakPolarHBondContact O-CD 3.32Å; D105-K132 WeakPolarHBondContact O-CE 3.39Å; D105-K132 PolarHBondContact O-NZ 2.8Å
106	Y	97.7	Very high	94.1	Very high	6 Å²	6	58.3 Å²	58.3	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.9	178.9	-65	-102.9	0	0	0	108.8	I68 L69 M70 V71 I104 E110 V111 N115 V119 K132	I68-Y106 HydrophobicContact CG2-CD2 4.06Å; I68-Y106 HydrophobicContact CG2-CE2 3.96Å; L69-Y106 PolarHBondContact O-N 3.22Å; L69-Y106 VanDerWaalsContact O-N 3.09Å; M70-Y106 WeakPolarHBondContact CA-O 3.44Å; M70-Y106 HydrophobicContact CE-CD1 3.93Å; M70-Y106 HydrophobicContact CE-CD2 4.09Å; M70-Y106 HydrophobicContact CE-CG 3.67Å; M70-Y106 HydrophobicContact CG-CD2 3.92Å; M70-Y106 HydrophobicContact CG-CG 4.14Å; M70-Y106 HydrophobicContact SD-CD2 4.47Å; V71-Y106 PolarHBondContact N-O 3.11Å; I104-Y106 WeakPolarHBondContact CG2-O 3.27Å; Y106-E110 HydrophobicContact CD1-CB 3.97Å; Y106-V111 WeakPolarHBondContact O-CG2 3.14Å; Y106-N115 HydrophobicContact CD1-CB 4.2Å; Y106-N115 HydrophobicContact CE1-CB 4.03Å; Y106-V119 HydrophobicContact CE1-CG2 4.47Å; Y106-V119 HydrophobicContact CE2-CG2 3.74Å; Y106-V119 WeakPolarHBondContact OH-CG2 3.43Å; Y106-K132 HydrophobicContact CE1-CD 4.47Å; Y106-K132 HydrophobicContact CE2-CB 3.91Å; Y106-K132 HydrophobicContact CE2-CD 4.24Å; Y106-K132 HydrophobicContact CE2-CG 4.37Å; Y106-K132 PolarHBondContact OH-O 3.12Å; Y106-K132 VanDerWaalsContact OH-O 3.07Å
107	R	95.8	Very high	94.3	Very high	118 Å²	118	57.5 Å²	57.5	45%	0.445	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.2	-177.9	-69.2	-178.3	-179.4	84	0.4	111.2	I104 Y109 E110	I104-R107 HydrophobicContact CB-CG 3.9Å; I104-R107 HydrophobicContact CD1-CG 4.47Å; I104-R107 HydrophobicContact CG2-CG 3.46Å; I104-R107 VanDerWaalsContact CG2-CG 3.46Å; I104-R107 PolarHBondContact O-NH1 3.12Å; I104-R107 PolarHBondContact O-NH2 3.04Å; R107-Y109 PolarHBondContact O-N 2.69Å; R107-E110 PolarHBondContact N-OE2 2.87Å; R107-E110 WeakPolarHBondContact O-CB 3.31Å; R107-E110 PolarHBondContact O-N 3.09Å
108	G	96	Very high	94.5	Very high	20 Å²	20	61.4 Å²	61.4	21%	0.206	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	57.9	-125.6	167.6	0	0	0	0	0	111.6	V71 A72 E110 V111 Q158	V71-G108 PolarHBondContact O-N 3.05Å; A72-G108 VanDerWaalsContact O-CA 3.31Å; A72-G108 WeakPolarHBondContact O-CA 3.44Å; G108-E110 PolarHBondContact O-N 3Å; G108-V111 PolarHBondContact O-N 2.82Å; G108-Q158 PolarHBondContact O-NE2 2.94Å
109	Y	95.7	Very high	94.9	Very high	189 Å²	189	59.6 Å²	59.6	74%	0.741	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.9	-12.1	-179.7	-59.9	-69.3	0	0	0	115.2	R107 V111 T112	R107-Y109 PolarHBondContact O-N 2.69Å; Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-T112 WeakPolarHBondContact O-CG2 3.12Å
110	E	96.3	Very high	95.6	Very high	77 Å²	77	58.1 Å²	58.1	36%	0.36	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-76.4	-17.8	171.9	-62.5	-173.7	103.4	0	0	112.8	Y106 R107 G108 T112 N115 K132	Y106-E110 HydrophobicContact CD1-CB 3.97Å; R107-E110 PolarHBondContact N-OE2 2.87Å; R107-E110 WeakPolarHBondContact O-CB 3.31Å; R107-E110 PolarHBondContact O-N 3.09Å; G108-E110 PolarHBondContact O-N 3Å; E110-T112 PolarHBondContact O-N 2.86Å; E110-T112 VanDerWaalsContact O-N 3.1Å; E110-N115 WeakPolarHBondContact O-CB 3.5Å; E110-N115 PolarHBondContact O-ND2 2.65Å; E110-K132 VanDerWaalsContact CD-NZ 3.3Å; E110-K132 IonicContact OE1-NZ 3.35Å; E110-K132 PolarHBondContact OE1-NZ 2.94Å; E110-K132 IonicContact OE2-NZ 2.9Å; E110-K132 PolarHBondContact OE2-NZ 3.34Å; E110-K132 VanDerWaalsContact OE2-NZ 3.09Å
111	V	97.8	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.224	C	C	.	.			trans	-85.7	84.1	179.6	-175.8	0	0	0	0	109.6	V35 M70 V71 A72 Y106 G108 Y109 F157 Q158	V35-V111 HydrophobicContact CG1-CG1 4.34Å; M70-V111 HydrophobicContact CB-CG1 4.06Å; M70-V111 HydrophobicContact CB-CG2 3.95Å; M70-V111 HydrophobicContact CE-CG1 4.38Å; V71-V111 WeakPolarHBondContact O-CG2 3.44Å; A72-V111 HydrophobicContact CB-CB 4.36Å; A72-V111 HydrophobicContact CB-CG1 4.23Å; Y106-V111 WeakPolarHBondContact O-CG2 3.14Å; G108-V111 PolarHBondContact O-N 2.82Å; Y109-V111 VanDerWaalsContact C-N 3.3Å; V111-F157 HydrophobicContact CG1-CD1 4.27Å; V111-F157 HydrophobicContact CG1-CE1 4.24Å; V111-Q158 VanDerWaalsContact O-CG 3.24Å; V111-Q158 WeakPolarHBondContact O-CG 3.1Å; V111-Q158 PolarHBondContact O-NE2 3.46Å
112	T	97.8	Very high	97.2	Very high	44 Å²	44	43.1 Å²	43.1	27%	0.27	21%	0.207	S	C	.	.			trans	-120.6	158.9	178.7	67.4	0	0	0	0	110.8	Y109 E110 E114 N115 F116	Y109-T112 WeakPolarHBondContact O-CG2 3.12Å; E110-T112 PolarHBondContact O-N 2.86Å; E110-T112 VanDerWaalsContact O-N 3.1Å; T112-E114 PolarHBondContact O-N 3.08Å; T112-N115 PolarHBondContact O-N 2.96Å; T112-N115 PolarHBondContact OG1-N 3.27Å; T112-N115 VanDerWaalsContact OG1-N 3.1Å; T112-F116 WeakPolarHBondContact O-CB 3.45Å; T112-F116 PolarHBondContact O-N 3.36Å
113	V	98.3	Very high	97.4	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-54.3	-45.4	172	179.1	0	0	0	0	110.3	N115 F116 I117 F157 H161 L163	V113-N115 PolarHBondContact O-N 2.96Å; V113-F116 PolarHBondContact O-N 3.37Å; V113-I117 HydrophobicContact CG1-CG1 4.23Å; V113-I117 VanDerWaalsContact O-CG1 3.26Å; V113-I117 WeakPolarHBondContact O-CG1 3.36Å; V113-I117 PolarHBondContact O-N 3.16Å; V113-F157 HydrophobicContact CG2-CB 3.89Å; V113-F157 HydrophobicContact CG2-CD1 4.22Å; V113-F157 HydrophobicContact CG2-CD2 3.74Å; V113-F157 HydrophobicContact CG2-CE2 4.29Å; V113-F157 HydrophobicContact CG2-CG 3.69Å; V113-H161 HydrophobicContact CG2-CB 4.26Å; V113-L163 HydrophobicContact CG1-CB 4.15Å; V113-L163 HydrophobicContact CG1-CD1 3.85Å; V113-L163 HydrophobicContact CG2-CB 4.08Å
114	E	97.9	Very high	97.4	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-58.4	-48.6	179.4	-177.7	-177.9	-172.2	0	0	112.5	T112 I117 R118	T112-E114 PolarHBondContact O-N 3.08Å; E114-I117 PolarHBondContact O-N 3.32Å; E114-R118 WeakPolarHBondContact O-CB 3.49Å; E114-R118 VanDerWaalsContact O-CG 3.25Å; E114-R118 WeakPolarHBondContact O-CG 3.43Å; E114-R118 PolarHBondContact O-N 2.98Å; E114-R118 IonicContact OE1-CZ 3.69Å; E114-R118 IonicContact OE1-NE 3.26Å; E114-R118 IonicContact OE1-NH1 3.44Å; E114-R118 PolarHBondContact OE1-NH1 3.31Å; E114-R118 IonicContact OE1-NH2 3.09Å; E114-R118 PolarHBondContact OE1-NH2 3.03Å
115	N	97.7	Very high	97.4	Very high	35 Å²	35	47.7 Å²	47.7	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-41	179.6	-82.4	-23	0	0	0	111.6	M70 Y106 E110 T112 V113 R118 V119	M70-N115 HydrophobicContact CE-CB 4.26Å; Y106-N115 HydrophobicContact CD1-CB 4.2Å; Y106-N115 HydrophobicContact CE1-CB 4.03Å; E110-N115 WeakPolarHBondContact O-CB 3.5Å; E110-N115 PolarHBondContact O-ND2 2.65Å; T112-N115 PolarHBondContact O-N 2.96Å; T112-N115 PolarHBondContact OG1-N 3.27Å; T112-N115 VanDerWaalsContact OG1-N 3.1Å; V113-N115 PolarHBondContact O-N 2.96Å; N115-R118 PolarHBondContact O-N 3.02Å; N115-V119 WeakPolarHBondContact O-CG2 3.42Å; N115-V119 PolarHBondContact O-N 3.4Å
116	F	98.5	Very high	97.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-50.9	174.9	173.1	-112.3	0	0	0	111.5	V33 V35 M70 T112 V113 R118 V119 L120 I144 M146 F157 L163 L168	V33-F116 HydrophobicContact CG1-CD2 4.29Å; V33-F116 HydrophobicContact CG1-CE2 3.94Å; V35-F116 HydrophobicContact CG2-CD2 3.81Å; V35-F116 HydrophobicContact CG2-CE2 3.74Å; M70-F116 HydrophobicContact CE-CB 4.28Å; M70-F116 HydrophobicContact SD-CB 4.17Å; M70-F116 HydrophobicContact SD-CD2 4.03Å; T112-F116 WeakPolarHBondContact O-CB 3.45Å; T112-F116 PolarHBondContact O-N 3.36Å; V113-F116 PolarHBondContact O-N 3.37Å; F116-R118 VanDerWaalsContact C-N 3.33Å; F116-R118 PolarHBondContact O-N 2.91Å; F116-V119 WeakPolarHBondContact O-CB 3.33Å; F116-V119 PolarHBondContact O-N 3.2Å; F116-L120 HydrophobicContact CD1-CD1 4.42Å; F116-L120 HydrophobicContact CE1-CD1 3.77Å; F116-L120 HydrophobicContact CE2-CD1 4.05Å; F116-L120 HydrophobicContact CE2-CD2 4.28Å; F116-L120 HydrophobicContact CE2-CG 4.17Å; F116-L120 HydrophobicContact CZ-CD1 3.57Å; F116-L120 HydrophobicContact CZ-CG 4.2Å; F116-L120 WeakPolarHBondContact O-CG 3.14Å; F116-L120 PolarHBondContact O-N 3.12Å; F116-L120 VanDerWaalsContact O-N 3.08Å; F116-I144 HydrophobicContact CE2-CG2 4.39Å; F116-I144 HydrophobicContact CZ-CG2 4.22Å; F116-M146 HydrophobicContact CD1-CE 4.23Å; F116-M146 HydrophobicContact CE1-CE 3.75Å; F116-M146 HydrophobicContact CE1-SD 4.01Å; F116-M146 HydrophobicContact CE2-CE 4.13Å; F116-M146 HydrophobicContact CE2-SD 4.32Å; F116-M146 HydrophobicContact CZ-CE 3.68Å; F116-M146 HydrophobicContact CZ-SD 3.6Å; F116-M146 VanDerWaalsContact CZ-SD 3.6Å; F116-F157 HydrophobicContact CB-CE1 4.19Å; F116-F157 HydrophobicContact CB-CZ 4.24Å; F116-F157 HydrophobicContact CD1-CZ 4.21Å; F116-F157 HydrophobicContact CG-CZ 4.22Å; F116-L163 HydrophobicContact CD1-CD2 4.01Å; F116-L163 HydrophobicContact CE1-CD2 3.67Å; F116-L168 HydrophobicContact CE1-CD1 3.97Å; F116-L168 HydrophobicContact CZ-CD1 4.29Å
117	I	98.6	Very high	97.2	Very high	33 Å²	33	58.3 Å²	58.3	17%	0.169	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-37.6	178.4	-62.9	-70.3	0	0	0	111.6	V113 E114 L120 T121 L163 A171	V113-I117 HydrophobicContact CG1-CG1 4.23Å; V113-I117 VanDerWaalsContact O-CG1 3.26Å; V113-I117 WeakPolarHBondContact O-CG1 3.36Å; V113-I117 PolarHBondContact O-N 3.16Å; E114-I117 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 2.88Å; I117-T121 HydrophobicContact CG2-CG2 4.2Å; I117-T121 WeakPolarHBondContact O-CB 3.43Å; I117-T121 WeakPolarHBondContact O-CG2 3.35Å; I117-T121 PolarHBondContact O-N 3.07Å; I117-T121 PolarHBondContact O-OG1 2.65Å; I117-L163 HydrophobicContact CD1-CD1 3.91Å; I117-L163 HydrophobicContact CG1-CD1 4.41Å; I117-A171 HydrophobicContact CD1-CB 3.59Å; I117-A171 HydrophobicContact CG2-CB 4.33Å
118	R	98.4	Very high	97.2	Very high	87 Å²	87	53.8 Å²	53.8	33%	0.328	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-40.4	175.6	-77.5	177.2	169.6	163.8	2.6	112.8	E114 N115 F116 G122 R123 L124	E114-R118 WeakPolarHBondContact O-CB 3.49Å; E114-R118 VanDerWaalsContact O-CG 3.25Å; E114-R118 WeakPolarHBondContact O-CG 3.43Å; E114-R118 PolarHBondContact O-N 2.98Å; E114-R118 IonicContact OE1-CZ 3.69Å; E114-R118 IonicContact OE1-NE 3.26Å; E114-R118 IonicContact OE1-NH1 3.44Å; E114-R118 PolarHBondContact OE1-NH1 3.31Å; E114-R118 IonicContact OE1-NH2 3.09Å; E114-R118 PolarHBondContact OE1-NH2 3.03Å; N115-R118 PolarHBondContact O-N 3.02Å; F116-R118 VanDerWaalsContact C-N 3.33Å; F116-R118 PolarHBondContact O-N 2.91Å; R118-G122 CarbonylContact O-C 3.55Å; R118-G122 WeakPolarHBondContact O-CA 3.41Å; R118-G122 PolarHBondContact O-N 3.09Å; R118-R123 HydrophobicContact CG-CB 4.47Å; R118-R123 WeakPolarHBondContact CG-O 3.37Å; R118-R123 PolarHBondContact O-N 2.71Å; R118-L124 HydrophobicContact CB-CD2 3.79Å; R118-L124 HydrophobicContact CB-CG 4.29Å
119	V	98.6	Very high	97.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-52.8	174.1	167.7	0	0	0	0	109.9	I68 Y106 N115 F116 T121 G122 L124 L134 R180	I68-V119 HydrophobicContact CG1-CG1 4.26Å; I68-V119 HydrophobicContact CG2-CG1 4.18Å; Y106-V119 HydrophobicContact CE1-CG2 4.47Å; Y106-V119 HydrophobicContact CE2-CG2 3.74Å; Y106-V119 WeakPolarHBondContact OH-CG2 3.43Å; N115-V119 WeakPolarHBondContact O-CG2 3.42Å; N115-V119 PolarHBondContact O-N 3.4Å; F116-V119 WeakPolarHBondContact O-CB 3.33Å; F116-V119 PolarHBondContact O-N 3.2Å; V119-T121 PolarHBondContact O-N 3Å; V119-G122 PolarHBondContact O-N 2.98Å; V119-L124 HydrophobicContact CG2-CD1 4.25Å; V119-L124 HydrophobicContact CG2-CD2 4.37Å; V119-L134 HydrophobicContact CG1-CB 3.88Å; V119-R180 PolarHBondContact O-NH2 3.01Å
120	L	98.7	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-52.5	-179.9	-67.3	-169.4	0	0	0	111.7	V33 F116 I117 G122 L134 I144 L168 A171 M175 R180	V33-L120 HydrophobicContact CG1-CD2 4.49Å; V33-L120 HydrophobicContact CG2-CD2 4.18Å; F116-L120 HydrophobicContact CD1-CD1 4.42Å; F116-L120 HydrophobicContact CE1-CD1 3.77Å; F116-L120 HydrophobicContact CE2-CD1 4.05Å; F116-L120 HydrophobicContact CE2-CD2 4.28Å; F116-L120 HydrophobicContact CE2-CG 4.17Å; F116-L120 HydrophobicContact CZ-CD1 3.57Å; F116-L120 HydrophobicContact CZ-CG 4.2Å; F116-L120 WeakPolarHBondContact O-CG 3.14Å; F116-L120 PolarHBondContact O-N 3.12Å; F116-L120 VanDerWaalsContact O-N 3.08Å; I117-L120 PolarHBondContact O-N 2.88Å; L120-G122 VanDerWaalsContact C-N 3.28Å; L120-G122 PolarHBondContact O-N 2.67Å; L120-L134 HydrophobicContact CD2-CD2 4.12Å; L120-I144 HydrophobicContact CD1-CD1 4.23Å; L120-I144 HydrophobicContact CD2-CD1 3.69Å; L120-I144 HydrophobicContact CD2-CG1 4.42Å; L120-L168 HydrophobicContact CD1-CD1 4.32Å; L120-A171 HydrophobicContact CD1-CB 4.45Å; L120-M175 HydrophobicContact CB-CG 4.39Å; L120-M175 HydrophobicContact CB-SD 3.73Å; L120-M175 HydrophobicContact CD1-SD 4.44Å; L120-M175 HydrophobicContact CD2-SD 4.13Å; L120-M175 HydrophobicContact CG-SD 4.31Å; L120-M175 VanDerWaalsContact O-CG 3.31Å; L120-M175 WeakPolarHBondContact O-CG 3.4Å; L120-R180 PolarHBondContact O-NE 2.95Å; L120-R180 PolarHBondContact O-NH2 3.24Å
121	T	98.2	Very high	96.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-80	-5.1	-174	61.9	0	0	0	0	114.7	I117 V119 R123 A171 Q174 K178	I117-T121 HydrophobicContact CG2-CG2 4.2Å; I117-T121 WeakPolarHBondContact O-CB 3.43Å; I117-T121 WeakPolarHBondContact O-CG2 3.35Å; I117-T121 PolarHBondContact O-N 3.07Å; I117-T121 PolarHBondContact O-OG1 2.65Å; V119-T121 PolarHBondContact O-N 3Å; T121-R123 VanDerWaalsContact C-N 3.26Å; T121-R123 PolarHBondContact O-N 2.82Å; T121-A171 HydrophobicContact CG2-CB 4.22Å; T121-Q174 HydrophobicContact CG2-CB 4.05Å; T121-K178 PolarHBondContact O-NZ 3.11Å
122	G	97.5	Very high	96.9	Very high	31 Å²	31	53.2 Å²	53.2	32%	0.32	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	17.5	-176.7	0	0	0	0	0	114.4	R118 V119 L120 L124	R118-G122 CarbonylContact O-C 3.55Å; R118-G122 WeakPolarHBondContact O-CA 3.41Å; R118-G122 PolarHBondContact O-N 3.09Å; V119-G122 PolarHBondContact O-N 2.98Å; L120-G122 VanDerWaalsContact C-N 3.28Å; L120-G122 PolarHBondContact O-N 2.67Å; G122-L124 PolarHBondContact O-N 3.05Å
123	R	96.6	Very high	96.9	Very high	141 Å²	141	53.4 Å²	53.4	53%	0.532	30%	0.299	S	S	.	.			trans	-89.7	47.6	-178.1	-68.1	-175.7	175.7	139	7.5	112.1	R118 T121	R118-R123 HydrophobicContact CG-CB 4.47Å; R118-R123 WeakPolarHBondContact CG-O 3.37Å; R118-R123 PolarHBondContact O-N 2.71Å; T121-R123 VanDerWaalsContact C-N 3.26Å; T121-R123 PolarHBondContact O-N 2.82Å
124	L	96.3	Very high	96.8	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.105	29%	0.294	C	S	.	.			trans	-93.7	141.4	178.6	-68.3	164.6	0	0	0	110.4	R118 V119 G122 T128 R133	R118-L124 HydrophobicContact CB-CD2 3.79Å; R118-L124 HydrophobicContact CB-CG 4.29Å; V119-L124 HydrophobicContact CG2-CD1 4.25Å; V119-L124 HydrophobicContact CG2-CD2 4.37Å; G122-L124 PolarHBondContact O-N 3.05Å; L124-T128 HydrophobicContact CB-CG2 4.33Å; L124-T128 HydrophobicContact CD1-CG2 4.17Å; L124-T128 HydrophobicContact CD2-CG2 4.41Å; L124-R133 HydrophobicContact CD1-CB 4.36Å; L124-R133 HydrophobicContact CD1-CG 3.82Å
125	P	95.5	Very high	96.8	Very high	62 Å²	62	51.1 Å²	51.1	40%	0.403	29%	0.29	S	S	.	.			trans	-50.8	148.3	174.7	-26.6	33.9	0	0	0	112.4	S127 T128 R133	P125-S127 PolarHBondContact O-N 2.84Å; P125-T128 WeakPolarHBondContact O-CB 3.5Å; P125-T128 PolarHBondContact O-N 2.69Å; P125-T128 PolarHBondContact O-OG1 2.74Å; P125-R133 PolarHBondContact O-NH2 3.34Å
126	P	94.6	Very high	96.8	Very high	133 Å²	133	50 Å²	50	86%	0.864	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.2	178.9	-27.4	35.6	0	0	0	114.5	T128 R133	P126-T128 VanDerWaalsContact C-N 3.31Å; P126-T128 PolarHBondContact O-N 2.86Å; P126-R133 VanDerWaalsContact C-NH2 3.32Å; P126-R133 PolarHBondContact O-NH2 3.03Å
127	S	96.1	Very high	96.8	Very high	106 Å²	106	52.9 Å²	52.9	74%	0.741	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-11.6	177.3	53.9	0	0	0	0	114.9	P125	P125-S127 PolarHBondContact O-N 2.84Å
128	T	96.3	Very high	96.7	Very high	23 Å²	23	55 Å²	55	14%	0.141	31%	0.309	C	S	.	.	S	Bend	trans	-63.1	128	178.8	-55.9	0	0	0	0	110.5	L124 P125 P126 K132 R133	L124-T128 HydrophobicContact CB-CG2 4.33Å; L124-T128 HydrophobicContact CD1-CG2 4.17Å; L124-T128 HydrophobicContact CD2-CG2 4.41Å; P125-T128 WeakPolarHBondContact O-CB 3.5Å; P125-T128 PolarHBondContact O-N 2.69Å; P125-T128 PolarHBondContact O-OG1 2.74Å; P126-T128 VanDerWaalsContact C-N 3.31Å; P126-T128 PolarHBondContact O-N 2.86Å; T128-K132 HydrophobicContact CG2-CB 3.87Å; T128-R133 HydrophobicContact CG2-CG 4.23Å; T128-R133 VanDerWaalsContact O-CZ 3.23Å; T128-R133 PolarHBondContact O-NE 2.96Å; T128-R133 PolarHBondContact O-NH2 2.96Å
129	P	95.7	Very high	96.6	Very high	71 Å²	71	55.3 Å²	55.3	46%	0.461	31%	0.314	S	S	.	.			trans	-57.6	150.6	178.2	-25.9	34.8	0	0	0	113	S131 K132 R133	P129-S131 VanDerWaalsContact C-N 3.26Å; P129-S131 PolarHBondContact O-N 2.93Å; P129-K132 PolarHBondContact O-N 3.03Å; P129-K132 VanDerWaalsContact O-N 3.13Å; P129-R133 WeakPolarHBondContact O-CG 3.5Å
130	T	93.7	Very high	96.6	Very high	105 Å²	105	55.4 Å²	55.4	64%	0.644	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-58.9	-35.8	179.9	-53.6	0	0	0	0	113	K132 R133	T130-K132 VanDerWaalsContact C-N 3.27Å; T130-K132 PolarHBondContact O-N 2.86Å; T130-R133 PolarHBondContact O-N 3Å; T130-R133 VanDerWaalsContact O-N 3.15Å
131	S	92.3	Very high	96.6	Very high	58 Å²	58	55.4 Å²	55.4	41%	0.406	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.1	-34.7	178	54.7	0	0	0	0	112.7	I68 P129 R133	I68-S131 WeakPolarHBondContact CD1-O 3.3Å; P129-S131 VanDerWaalsContact C-N 3.26Å; P129-S131 PolarHBondContact O-N 2.93Å; S131-R133 VanDerWaalsContact C-N 3.26Å; S131-R133 PolarHBondContact O-N 3.4Å
132	K	96.9	Very high	96.6	Very high	40 Å²	40	55.3 Å²	55.3	17%	0.174	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-84.3	11.2	178.4	-58	-157.7	-173.8	-156	0	113.9	D105 Y106 E110 T128 P129 T130	D105-K132 HydrophobicContact CB-CG 4.22Å; D105-K132 WeakPolarHBondContact O-CD 3.32Å; D105-K132 WeakPolarHBondContact O-CE 3.39Å; D105-K132 PolarHBondContact O-NZ 2.8Å; Y106-K132 HydrophobicContact CE1-CD 4.47Å; Y106-K132 HydrophobicContact CE2-CB 3.91Å; Y106-K132 HydrophobicContact CE2-CD 4.24Å; Y106-K132 HydrophobicContact CE2-CG 4.37Å; Y106-K132 PolarHBondContact OH-O 3.12Å; Y106-K132 VanDerWaalsContact OH-O 3.07Å; E110-K132 VanDerWaalsContact CD-NZ 3.3Å; E110-K132 IonicContact OE1-NZ 3.35Å; E110-K132 PolarHBondContact OE1-NZ 2.94Å; E110-K132 IonicContact OE2-NZ 2.9Å; E110-K132 PolarHBondContact OE2-NZ 3.34Å; E110-K132 VanDerWaalsContact OE2-NZ 3.09Å; T128-K132 HydrophobicContact CG2-CB 3.87Å; P129-K132 PolarHBondContact O-N 3.03Å; P129-K132 VanDerWaalsContact O-N 3.13Å; T130-K132 VanDerWaalsContact C-N 3.27Å; T130-K132 PolarHBondContact O-N 2.86Å
133	R	97.9	Very high	96.7	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.177	30%	0.299	C	S	.	.	S	Bend	trans	-114.2	133.5	-176.7	-66.6	176.6	-175.3	-85.7	3.1	111.4	L124 P125 P126 T128 P129 T130 S131 N135	L124-R133 HydrophobicContact CD1-CB 4.36Å; L124-R133 HydrophobicContact CD1-CG 3.82Å; P125-R133 PolarHBondContact O-NH2 3.34Å; P126-R133 VanDerWaalsContact C-NH2 3.32Å; P126-R133 PolarHBondContact O-NH2 3.03Å; T128-R133 HydrophobicContact CG2-CG 4.23Å; T128-R133 VanDerWaalsContact O-CZ 3.23Å; T128-R133 PolarHBondContact O-NE 2.96Å; T128-R133 PolarHBondContact O-NH2 2.96Å; P129-R133 WeakPolarHBondContact O-CG 3.5Å; T130-R133 PolarHBondContact O-N 3Å; T130-R133 VanDerWaalsContact O-N 3.15Å; S131-R133 VanDerWaalsContact C-N 3.26Å; S131-R133 PolarHBondContact O-N 3.4Å; R133-N135 WeakPolarHBondContact CB-OD1 3.44Å; R133-N135 PolarHBondContact O-N 3.23Å; R133-N135 VanDerWaalsContact O-N 3.11Å
134	L	98.2	Very high	96.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.273	C	S	.	.			trans	-78.6	90.2	167.1	-171.6	65.4	0	0	0	109.4	W31 V33 V119 L120 T136 I142 M175 R180	W31-L134 HydrophobicContact CB-CD1 4.07Å; W31-L134 HydrophobicContact CD2-CD1 4.36Å; W31-L134 HydrophobicContact CE3-CD1 3.9Å; W31-L134 HydrophobicContact CG-CD1 4.48Å; V33-L134 HydrophobicContact CG2-CD1 3.85Å; V33-L134 HydrophobicContact CG2-CD2 3.96Å; V33-L134 HydrophobicContact CG2-CG 4.47Å; V119-L134 HydrophobicContact CG1-CB 3.88Å; L120-L134 HydrophobicContact CD2-CD2 4.12Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 HydrophobicContact CD1-CG2 3.63Å; L134-T136 HydrophobicContact CG-CG2 3.75Å; L134-T136 PolarHBondContact O-N 3.19Å; L134-I142 HydrophobicContact CD2-CD1 4.26Å; L134-M175 HydrophobicContact CD2-CE 3.99Å; L134-R180 PolarHBondContact O-NH2 2.64Å
135	N	96.8	Very high	96.9	Very high	78 Å²	78	46.2 Å²	46.2	42%	0.417	27%	0.269	S	S	.	.			trans	-91.8	60.3	-176.2	-62	-49.3	0	0	0	111.6	W31 R133	W31-N135 HydrophobicContact CH2-CB 3.78Å; W31-N135 HydrophobicContact CZ2-CB 4.25Å; W31-N135 WeakPolarHBondContact CZ2-O 3.32Å; W31-N135 HydrophobicContact CZ3-CB 4.47Å; R133-N135 WeakPolarHBondContact CB-OD1 3.44Å; R133-N135 PolarHBondContact O-N 3.23Å; R133-N135 VanDerWaalsContact O-N 3.11Å
136	T	97.9	Very high	97.1	Very high	13 Å²	13	43.2 Å²	43.2	8%	0.08	25%	0.249	C	C	.	.			trans	-99.1	162.3	-177.3	57.2	0	0	0	0	112.6	W31 L134 I142 R180	W31-T136 HydrophobicContact CB-CG2 3.8Å; W31-T136 HydrophobicContact CD2-CG2 3.57Å; W31-T136 HydrophobicContact CE3-CG2 4.21Å; W31-T136 HydrophobicContact CG-CG2 3.36Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 HydrophobicContact CD1-CG2 3.63Å; L134-T136 HydrophobicContact CG-CG2 3.75Å; L134-T136 PolarHBondContact O-N 3.19Å; T136-I142 HydrophobicContact CG2-CD1 3.72Å; T136-I142 HydrophobicContact CG2-CG1 3.99Å; T136-R180 WeakPolarHBondContact CB-O 3.48Å; T136-R180 PolarHBondContact OG1-O 2.85Å
137	D	97.6	Very high	97.3	Very high	60 Å²	60	36.9 Å²	36.9	32%	0.321	21%	0.208	S	C	.	.			trans	-140.5	-175.5	-176.7	61.5	19.4	0	0	0	112	H139 S140 R179 R180 Y181	D137-H139 PolarHBondContact O-N 3.09Å; D137-H139 WeakPolarHBondContact OD1-CA 3.43Å; D137-H139 WeakPolarHBondContact OD1-CB 3.46Å; D137-H139 PolarHBondContact OD1-N 3Å; D137-S140 PolarHBondContact N-OG 2.67Å; D137-S140 VanDerWaalsContact N-OG 3.09Å; D137-S140 WeakPolarHBondContact O-CB 3.31Å; D137-S140 PolarHBondContact O-N 3.26Å; D137-S140 VanDerWaalsContact O-N 3.08Å; D137-S140 PolarHBondContact OD1-N 2.97Å; D137-S140 PolarHBondContact OD1-OG 3.19Å; D137-R179 CarbonylContact C-O 3.59Å; D137-R179 VanDerWaalsContact CA-O 3.28Å; D137-R179 WeakPolarHBondContact CA-O 3.32Å; D137-R180 CarbonylContact O-C 3.57Å; D137-R180 VanDerWaalsContact O-C 3.27Å; D137-Y181 CarbonylContact O-C 3.25Å; D137-Y181 WeakPolarHBondContact O-CA 3.04Å; D137-Y181 PolarHBondContact O-N 3.19Å
138	E	97	Very high	97.4	Very high	76 Å²	76	32 Å²	32	36%	0.355	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-3.2	178.3	58.6	-100.5	-119.5	0	0	114.9	R179 H182	E138-R179 HydrophobicContact CB-CB 4.13Å; E138-R179 PolarHBondContact N-O 3.41Å; E138-R179 IonicContact OE1-NH1 3.71Å; E138-H182 WeakPolarHBondContact O-CA 3.47Å; E138-H182 VanDerWaalsContact O-CB 3.29Å; E138-H182 WeakPolarHBondContact O-CB 3.45Å
139	H	97.1	Very high	97.5	Very high	95 Å²	95	33.9 Å²	33.9	44%	0.44	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	5.3	178.5	-56.5	-52.3	0	0	0	112.4	H27 T28 D137	H27-H139 CarbonylContact C-O 3.54Å; H27-H139 WeakPolarHBondContact CA-O 3.5Å; H27-H139 WeakPolarHBondContact CB-O 3.38Å; T28-H139 HydrophobicContact CG2-CB 4.02Å; T28-H139 PolarHBondContact N-O 3.2Å; T28-H139 VanDerWaalsContact OG1-CB 3.31Å; T28-H139 WeakPolarHBondContact OG1-CB 3.06Å; T28-H139 PolarHBondContact OG1-O 2.87Å; D137-H139 PolarHBondContact O-N 3.09Å; D137-H139 WeakPolarHBondContact OD1-CA 3.43Å; D137-H139 WeakPolarHBondContact OD1-CB 3.46Å; D137-H139 PolarHBondContact OD1-N 3Å
140	S	98.1	Very high	97.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124	-177.3	-60.7	0	0	0	0	111.2	S29 D137 Y181 H182	S29-S140 WeakPolarHBondContact O-CA 3.26Å; S29-S140 PolarHBondContact OG-OG 2.83Å; D137-S140 PolarHBondContact N-OG 2.67Å; D137-S140 VanDerWaalsContact N-OG 3.09Å; D137-S140 WeakPolarHBondContact O-CB 3.31Å; D137-S140 PolarHBondContact O-N 3.26Å; D137-S140 VanDerWaalsContact O-N 3.08Å; D137-S140 PolarHBondContact OD1-N 2.97Å; D137-S140 PolarHBondContact OD1-OG 3.19Å; S140-Y181 CarbonylContact O-C 3.57Å; S140-Y181 WeakPolarHBondContact O-CA 3.45Å; S140-H182 PolarHBondContact O-N 3.39Å
141	N	98.5	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140	165.4	-78.5	8.9	0	0	0	109.7	H27 S29 N30 W31 H182 E183 D287 F288	H27-N141 HydrophobicContact CB-CB 4.41Å; H27-N141 WeakPolarHBondContact CB-OD1 3.27Å; H27-N141 PolarHBondContact ND1-ND2 3.31Å; S29-N141 PolarHBondContact O-N 2.86Å; N30-N141 WeakPolarHBondContact CA-O 3.34Å; N30-N141 WeakPolarHBondContact OD1-CB 3.45Å; W31-N141 PolarHBondContact N-O 3.06Å; N141-H182 PolarHBondContact OD1-ND1 3.31Å; N141-E183 VanDerWaalsContact CA-O 3.29Å; N141-E183 WeakPolarHBondContact CA-O 3.05Å; N141-E183 PolarHBondContact ND2-OE2 2.59Å; N141-E183 WeakPolarHBondContact OD1-CB 3.42Å; N141-E183 PolarHBondContact OD1-N 3.27Å; N141-D287 PolarHBondContact ND2-O 3.43Å; N141-F288 HydrophobicContact CB-CD1 4.17Å; N141-F288 HydrophobicContact CB-CE1 4.11Å
142	I	98.8	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.6	-176.5	-53.8	-177.4	0	0	0	110.3	W31 L134 T136 I144 M175 R180 E183 L184 L185	W31-I142 WeakPolarHBondContact O-CA 3.44Å; L134-I142 HydrophobicContact CD2-CD1 4.26Å; T136-I142 HydrophobicContact CG2-CD1 3.72Å; T136-I142 HydrophobicContact CG2-CG1 3.99Å; I142-I144 HydrophobicContact CG2-CG1 3.93Å; I142-M175 HydrophobicContact CD1-CE 3.46Å; I142-M175 VanDerWaalsContact CD1-CE 3.46Å; I142-R180 WeakPolarHBondContact CD1-O 3.44Å; I142-E183 PolarHBondContact N-O 2.84Å; I142-L184 HydrophobicContact CB-CG 4.47Å; I142-L184 CarbonylContact O-C 3.58Å; I142-L184 WeakPolarHBondContact O-CA 3.48Å; I142-L185 PolarHBondContact O-N 2.75Å
143	L	98.9	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.4	163.2	170	63.1	0	0	0	109.1	W31 A32 V33 L34 I53 I57 L185 I187 F289	W31-L143 PolarHBondContact O-N 2.95Å; A32-L143 CarbonylContact C-O 3.55Å; A32-L143 VanDerWaalsContact CA-O 3.24Å; A32-L143 WeakPolarHBondContact CA-O 3.42Å; A32-L143 HydrophobicContact CB-CB 4.39Å; V33-L143 PolarHBondContact N-O 3.43Å; L34-L143 HydrophobicContact CD2-CD2 4.43Å; I53-L143 HydrophobicContact CG2-CD2 4.25Å; I57-L143 HydrophobicContact CG2-CD2 4.13Å; L143-L185 CarbonylContact C-O 3.45Å; L143-L185 WeakPolarHBondContact CA-O 3.43Å; L143-L185 HydrophobicContact CD1-CB 4.47Å; L143-L185 HydrophobicContact CD1-CD2 4.1Å; L143-L185 HydrophobicContact CD1-CG 4.11Å; L143-I187 HydrophobicContact CD1-CD1 3.81Å; L143-I187 HydrophobicContact CD1-CG1 4.28Å; L143-F289 HydrophobicContact CD1-CE1 4.32Å; L143-F289 HydrophobicContact CD1-CZ 4.02Å; L143-F289 HydrophobicContact CD2-CD1 3.75Å; L143-F289 HydrophobicContact CD2-CE1 3.5Å; L143-F289 VanDerWaalsContact CD2-CE1 3.5Å; L143-F289 HydrophobicContact CD2-CG 4.43Å; L143-F289 HydrophobicContact CD2-CZ 4.02Å
144	I	98.9	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.4	166.1	-58.3	179	0	0	0	107	V33 F116 L120 I142 M146 L184 L185 F186 I187	V33-I144 HydrophobicContact CB-CG1 4.35Å; V33-I144 WeakPolarHBondContact O-CA 3.33Å; F116-I144 HydrophobicContact CE2-CG2 4.39Å; F116-I144 HydrophobicContact CZ-CG2 4.22Å; L120-I144 HydrophobicContact CD1-CD1 4.23Å; L120-I144 HydrophobicContact CD2-CD1 3.69Å; L120-I144 HydrophobicContact CD2-CG1 4.42Å; I142-I144 HydrophobicContact CG2-CG1 3.93Å; I144-M146 HydrophobicContact CG2-CG 4.09Å; I144-M146 HydrophobicContact CG2-SD 4.45Å; I144-L184 HydrophobicContact CD1-CD1 3.93Å; I144-L184 HydrophobicContact CD1-CD2 4.35Å; I144-L184 HydrophobicContact CD1-CG 4.4Å; I144-L185 PolarHBondContact N-O 3.45Å; I144-F186 HydrophobicContact CB-CD2 3.97Å; I144-F186 HydrophobicContact CG2-CD2 3.78Å; I144-F186 HydrophobicContact CG2-CE2 4.04Å; I144-F186 CarbonylContact O-C 3.59Å; I144-F186 WeakPolarHBondContact O-CA 3.28Å; I144-I187 PolarHBondContact O-N 3.08Å
145	Y	98.9	Very high	98	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.6	174.8	171.3	-92.2	0	0	0	109.8	V33 L34 V35 N49 V50 I53 T147 I187 S235	V33-Y145 PolarHBondContact O-N 3.18Å; L34-Y145 CarbonylContact C-O 3.48Å; L34-Y145 WeakPolarHBondContact CA-O 3.47Å; L34-Y145 HydrophobicContact CD2-CD1 4.5Å; V35-Y145 PolarHBondContact N-O 3.29Å; N49-Y145 WeakPolarHBondContact CB-OH 3.26Å; V50-Y145 HydrophobicContact CB-CE1 4.31Å; V50-Y145 HydrophobicContact CG2-CD1 4.24Å; V50-Y145 HydrophobicContact CG2-CE1 4.34Å; I53-Y145 HydrophobicContact CB-CD1 4.33Å; I53-Y145 HydrophobicContact CG1-CD1 3.93Å; I53-Y145 HydrophobicContact CG1-CD2 4.07Å; I53-Y145 HydrophobicContact CG1-CE1 3.88Å; I53-Y145 HydrophobicContact CG1-CE2 4.01Å; I53-Y145 HydrophobicContact CG1-CG 4.03Å; I53-Y145 HydrophobicContact CG2-CG 4.45Å; Y145-T147 HydrophobicContact CE1-CG2 3.9Å; Y145-T147 WeakPolarHBondContact OH-CB 3.4Å; Y145-I187 CarbonylContact C-O 3.59Å; Y145-I187 VanDerWaalsContact CA-O 3.29Å; Y145-I187 WeakPolarHBondContact CA-O 3.48Å; Y145-I187 HydrophobicContact CD2-CB 3.96Å; Y145-I187 HydrophobicContact CD2-CG2 3.71Å; Y145-I187 HydrophobicContact CE2-CG2 4.1Å; Y145-S235 PolarHBondContact OH-OG 3.31Å
146	M	98.8	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	179.4	-54.6	-175.6	79.1	0	0	110.4	V35 T37 F116 I144 L155 F157 L163 F186 I187 V188 D189	V35-M146 HydrophobicContact CB-CE 4.31Å; V35-M146 HydrophobicContact CB-CG 4.22Å; V35-M146 HydrophobicContact CG1-CE 4.29Å; V35-M146 HydrophobicContact CG2-CE 4.48Å; V35-M146 HydrophobicContact CG2-CG 4.36Å; V35-M146 WeakPolarHBondContact O-CA 3.01Å; T37-M146 HydrophobicContact CG2-CE 4.28Å; F116-M146 HydrophobicContact CD1-CE 4.23Å; F116-M146 HydrophobicContact CE1-CE 3.75Å; F116-M146 HydrophobicContact CE1-SD 4.01Å; F116-M146 HydrophobicContact CE2-CE 4.13Å; F116-M146 HydrophobicContact CE2-SD 4.32Å; F116-M146 HydrophobicContact CZ-CE 3.68Å; F116-M146 HydrophobicContact CZ-SD 3.6Å; F116-M146 VanDerWaalsContact CZ-SD 3.6Å; I144-M146 HydrophobicContact CG2-CG 4.09Å; I144-M146 HydrophobicContact CG2-SD 4.45Å; M146-L155 HydrophobicContact CB-CD2 3.94Å; M146-L155 HydrophobicContact CE-CD2 3.56Å; M146-L155 HydrophobicContact SD-CD2 4.14Å; M146-F157 HydrophobicContact CE-CE2 3.74Å; M146-F157 HydrophobicContact CE-CZ 3.55Å; M146-L163 HydrophobicContact CE-CD2 3.88Å; M146-L163 HydrophobicContact SD-CD2 4.35Å; M146-F186 HydrophobicContact CG-CE2 4.2Å; M146-F186 HydrophobicContact SD-CE2 3.77Å; M146-F186 HydrophobicContact SD-CZ 4.26Å; M146-I187 PolarHBondContact N-O 3.3Å; M146-V188 HydrophobicContact CB-CG2 4.3Å; M146-V188 CarbonylContact O-C 3.59Å; M146-V188 VanDerWaalsContact O-CA 3.32Å; M146-V188 WeakPolarHBondContact O-CA 3.44Å; M146-D189 PolarHBondContact O-N 3.45Å
147	T	98.8	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.2	175.9	-178.7	0	0	0	0	109.6	V35 D36 T37 H46 N49 V50 Y145 D189	V35-T147 PolarHBondContact O-N 2.95Å; D36-T147 HydrophobicContact CB-CG2 4.25Å; T37-T147 PolarHBondContact N-O 2.86Å; T37-T147 VanDerWaalsContact N-O 3.1Å; T37-T147 PolarHBondContact OG1-O 2.84Å; H46-T147 HydrophobicContact CB-CG2 4.12Å; H46-T147 VanDerWaalsContact O-CG2 3.24Å; H46-T147 WeakPolarHBondContact O-CG2 2.96Å; N49-T147 HydrophobicContact CB-CG2 4.08Å; N49-T147 PolarHBondContact ND2-OG1 2.94Å; V50-T147 HydrophobicContact CB-CG2 4.14Å; Y145-T147 HydrophobicContact CE1-CG2 3.9Å; Y145-T147 WeakPolarHBondContact OH-CB 3.4Å; T147-D189 WeakPolarHBondContact CA-O 3.27Å
148	G	98.2	Very high	98	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	165.3	-169.7	-177.5	0	0	0	0	0	113.3	T37 S38 D189 T190	T37-G148 WeakPolarHBondContact OG1-CA 3.37Å; S38-G148 WeakPolarHBondContact OG-CA 3.41Å; G148-D189 PolarHBondContact N-O 3.1Å; G148-T190 VanDerWaalsContact O-CB 3.27Å; G148-T190 WeakPolarHBondContact O-CB 3.25Å; G148-T190 PolarHBondContact O-OG1 3.03Å
149	H	97.9	Very high	97.7	Very high	63 Å²	63	27.1 Å²	27.1	29%	0.292	14%	0.139	S	C	.	.			trans	-86.1	145.4	171.5	-67	-70.3	0	0	0	111.5	N43 R45 H46 L155 K156	N43-H149 PolarHBondContact OD1-NE2 3.38Å; R45-H149 PolarHBondContact NH2-CE1 2.85Å; R45-H149 PolarHBondContact NH2-NE2 3.28Å; H46-H149 AromaticContact CE1-CD2 3.69Å; H46-H149 AromaticContact CE1-CE1 3.99Å; H46-H149 AromaticContact CE1-NE2 3.62Å; H149-L155 WeakPolarHBondContact O-CD1 3.45Å; H149-K156 HydrophobicContact CB-CD 4.49Å; H149-K156 WeakPolarHBondContact O-CB 3.34Å; H149-K156 PolarHBondContact O-N 3.36Å
150	G	97.1	Very high	97.3	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-175.7	-175.2	0	0	0	0	0	111.4	F154 T190	G150-F154 VanDerWaalsContact CA-O 3.32Å; G150-F154 WeakPolarHBondContact CA-O 3.36Å; G150-T190 WeakPolarHBondContact CA-OG1 3.14Å; G150-T190 PolarHBondContact N-OG1 2.93Å
151	G	96.8	Very high	97.2	Very high	7 Å²	7	34 Å²	34	7%	0.072	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	-165.7	176.3	0	0	0	0	0	109.9	G153 F154 S195	G151-G153 PolarHBondContact O-N 3.46Å; G151-F154 PolarHBondContact N-O 2.96Å; G151-F154 PolarHBondContact O-N 3.08Å; G151-S195 PolarHBondContact O-OG 3.1Å
152	E	97.9	Very high	97.2	Very high	120 Å²	120	38.8 Å²	38.8	56%	0.561	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	109.7	-179.7	-161.9	179.7	163.5	0	0	111.1	I213	E152-I213 HydrophobicContact CG-CG2 4.3Å
153	G	98.3	Very high	97.2	Very high	13 Å²	13	38.8 Å²	38.8	13%	0.134	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	9.8	173.8	0	0	0	0	0	115.6	G151 S164 N165 S195	G151-G153 PolarHBondContact O-N 3.46Å; G153-S164 CarbonylContact O-C 3.08Å; G153-S164 WeakPolarHBondContact O-CA 3.12Å; G153-N165 WeakPolarHBondContact CA-ND2 3.43Å; G153-N165 PolarHBondContact O-N 3.23Å; G153-N165 PolarHBondContact O-OD1 3.21Å; G153-S195 PolarHBondContact N-OG 2.93Å
154	F	98.4	Very high	97.2	Very high	50 Å²	50	40 Å²	40	22%	0.219	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156	176.6	71.6	-89.1	0	0	0	114.3	G150 G151 K156 E162 L163	G150-F154 VanDerWaalsContact CA-O 3.32Å; G150-F154 WeakPolarHBondContact CA-O 3.36Å; G151-F154 PolarHBondContact N-O 2.96Å; G151-F154 PolarHBondContact O-N 3.08Å; F154-K156 HydrophobicContact CD2-CG 4.09Å; F154-K156 HydrophobicContact CE2-CD 4.35Å; F154-K156 HydrophobicContact CE2-CG 3.79Å; F154-E162 HydrophobicContact CB-CB 4.23Å; F154-E162 HydrophobicContact CD2-CB 4.24Å; F154-E162 HydrophobicContact CD2-CG 3.68Å; F154-E162 HydrophobicContact CE2-CG 4.24Å; F154-E162 VanDerWaalsContact CE2-OE1 3.29Å; F154-E162 WeakPolarHBondContact CE2-OE1 3.29Å; F154-E162 HydrophobicContact CG-CG 4.33Å; F154-L163 CarbonylContact C-O 3.46Å; F154-L163 VanDerWaalsContact CA-O 3.25Å; F154-L163 WeakPolarHBondContact CA-O 3.16Å
155	L	98.4	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.4	169.2	-174.9	75.4	0	0	0	109.5	T37 M146 H149 F157 L163 V188 T190 M196	T37-L155 HydrophobicContact CG2-CD2 3.73Å; T37-L155 HydrophobicContact CG2-CG 4.35Å; M146-L155 HydrophobicContact CB-CD2 3.94Å; M146-L155 HydrophobicContact CE-CD2 3.56Å; M146-L155 HydrophobicContact SD-CD2 4.14Å; H149-L155 WeakPolarHBondContact O-CD1 3.45Å; L155-F157 HydrophobicContact CD2-CE2 4.28Å; L155-L163 PolarHBondContact N-O 3.34Å; L155-L163 PolarHBondContact O-N 2.93Å; L155-V188 HydrophobicContact CD1-CG2 4.42Å; L155-T190 HydrophobicContact CD1-CG2 3.85Å; L155-T190 WeakPolarHBondContact CD1-OG1 3.33Å; L155-M196 HydrophobicContact CB-CE 4.01Å; L155-M196 HydrophobicContact CB-SD 4.29Å
156	K	97.8	Very high	97.1	Very high	73 Å²	73	43.8 Å²	43.8	32%	0.317	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136	179.8	-65	-175	171.8	-170.7	0	111.1	T37 H149 F154 H161 E162	T37-K156 WeakPolarHBondContact CB-O 3.49Å; T37-K156 PolarHBondContact OG1-O 3.32Å; H149-K156 HydrophobicContact CB-CD 4.49Å; H149-K156 WeakPolarHBondContact O-CB 3.34Å; H149-K156 PolarHBondContact O-N 3.36Å; F154-K156 HydrophobicContact CD2-CG 4.09Å; F154-K156 HydrophobicContact CE2-CD 4.35Å; F154-K156 HydrophobicContact CE2-CG 3.79Å; K156-H161 CarbonylContact C-O 3.6Å; K156-H161 WeakPolarHBondContact CA-O 3.4Å; K156-E162 WeakPolarHBondContact CE-OE1 3.47Å; K156-E162 HydrophobicContact CG-CG 4.01Å
157	F	98	Very high	97.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.6	168.7	-85.8	-115.3	0	0	0	109.5	V35 T37 V111 V113 F116 M146 L155 D159 D160 H161 L163	V35-F157 HydrophobicContact CG1-CE1 4.1Å; V35-F157 HydrophobicContact CG1-CZ 4.11Å; T37-F157 HydrophobicContact CG2-CD1 4.25Å; T37-F157 HydrophobicContact CG2-CD2 3.85Å; T37-F157 HydrophobicContact CG2-CE1 4Å; T37-F157 HydrophobicContact CG2-CE2 3.56Å; T37-F157 HydrophobicContact CG2-CG 4.2Å; T37-F157 HydrophobicContact CG2-CZ 3.65Å; V111-F157 HydrophobicContact CG1-CD1 4.27Å; V111-F157 HydrophobicContact CG1-CE1 4.24Å; V113-F157 HydrophobicContact CG2-CB 3.89Å; V113-F157 HydrophobicContact CG2-CD1 4.22Å; V113-F157 HydrophobicContact CG2-CD2 3.74Å; V113-F157 HydrophobicContact CG2-CE2 4.29Å; V113-F157 HydrophobicContact CG2-CG 3.69Å; F116-F157 HydrophobicContact CB-CE1 4.19Å; F116-F157 HydrophobicContact CB-CZ 4.24Å; F116-F157 HydrophobicContact CD1-CZ 4.21Å; F116-F157 HydrophobicContact CG-CZ 4.22Å; M146-F157 HydrophobicContact CE-CE2 3.74Å; M146-F157 HydrophobicContact CE-CZ 3.55Å; L155-F157 HydrophobicContact CD2-CE2 4.28Å; F157-D159 PolarHBondContact O-N 3Å; F157-D160 PolarHBondContact O-N 3.45Å; F157-H161 PolarHBondContact N-O 3.04Å; F157-H161 PolarHBondContact O-N 3.34Å; F157-L163 HydrophobicContact CD2-CB 4.1Å; F157-L163 HydrophobicContact CE2-CB 3.81Å; F157-L163 HydrophobicContact CE2-CD2 4.08Å
158	Q	95	Very high	97.1	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.107	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	15.4	172.5	-56.3	-83.1	-17.7	0	0	115.4	T37 R39 G108 V111 D160	T37-Q158 PolarHBondContact O-N 2.75Å; R39-Q158 HydrophobicContact CG-CB 4.38Å; G108-Q158 PolarHBondContact O-NE2 2.94Å; V111-Q158 VanDerWaalsContact O-CG 3.24Å; V111-Q158 WeakPolarHBondContact O-CG 3.1Å; V111-Q158 PolarHBondContact O-NE2 3.46Å; Q158-D160 PolarHBondContact O-N 3.18Å
159	D	90.3	Very high	97.1	Very high	101 Å²	101	48.1 Å²	48.1	54%	0.54	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	23.2	-170.6	-157.6	35.5	0	0	0	114.1	F40 F157	F40-D159 HydrophobicContact CE2-CB 4.31Å; F157-D159 PolarHBondContact O-N 3Å
160	D	90.4	Very high	97.2	Very high	125 Å²	125	48.9 Å²	48.9	67%	0.668	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-42.9	-171.8	-174.9	40.5	0	0	0	113.1	F157 Q158	F157-D160 PolarHBondContact O-N 3.45Å; Q158-D160 PolarHBondContact O-N 3.18Å
161	H	96	Very high	97.2	Very high	115 Å²	115	48.1 Å²	48.1	53%	0.532	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	162.4	-179.5	-68.7	73.1	0	0	0	111.1	V113 K156 F157	V113-H161 HydrophobicContact CG2-CB 4.26Å; K156-H161 CarbonylContact C-O 3.6Å; K156-H161 WeakPolarHBondContact CA-O 3.4Å; F157-H161 PolarHBondContact N-O 3.04Å; F157-H161 PolarHBondContact O-N 3.34Å
162	E	97.7	Very high	97.3	Very high	101 Å²	101	47.8 Å²	47.8	47%	0.472	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.7	177.2	-72	177.6	175.8	0	0	109.7	F154 K156	F154-E162 HydrophobicContact CB-CB 4.23Å; F154-E162 HydrophobicContact CD2-CB 4.24Å; F154-E162 HydrophobicContact CD2-CG 3.68Å; F154-E162 HydrophobicContact CE2-CG 4.24Å; F154-E162 VanDerWaalsContact CE2-OE1 3.29Å; F154-E162 WeakPolarHBondContact CE2-OE1 3.29Å; F154-E162 HydrophobicContact CG-CG 4.33Å; K156-E162 WeakPolarHBondContact CE-OE1 3.47Å; K156-E162 HydrophobicContact CG-CG 4.01Å
163	L	98.6	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.3	163.6	169.3	67.5	0	0	0	107.4	V113 F116 I117 M146 F154 L155 F157 E167 L168 M196	V113-L163 HydrophobicContact CG1-CB 4.15Å; V113-L163 HydrophobicContact CG1-CD1 3.85Å; V113-L163 HydrophobicContact CG2-CB 4.08Å; F116-L163 HydrophobicContact CD1-CD2 4.01Å; F116-L163 HydrophobicContact CE1-CD2 3.67Å; I117-L163 HydrophobicContact CD1-CD1 3.91Å; I117-L163 HydrophobicContact CG1-CD1 4.41Å; M146-L163 HydrophobicContact CE-CD2 3.88Å; M146-L163 HydrophobicContact SD-CD2 4.35Å; F154-L163 CarbonylContact C-O 3.46Å; F154-L163 VanDerWaalsContact CA-O 3.25Å; F154-L163 WeakPolarHBondContact CA-O 3.16Å; L155-L163 PolarHBondContact N-O 3.34Å; L155-L163 PolarHBondContact O-N 2.93Å; F157-L163 HydrophobicContact CD2-CB 4.1Å; F157-L163 HydrophobicContact CE2-CB 3.81Å; F157-L163 HydrophobicContact CE2-CD2 4.08Å; L163-E167 HydrophobicContact CD1-CB 4.02Å; L163-L168 HydrophobicContact CD1-CB 4.35Å; L163-L168 HydrophobicContact CD2-CB 4.39Å; L163-L168 HydrophobicContact CD2-CD1 4.39Å; L163-L168 HydrophobicContact CG-CB 4.47Å; L163-M196 HydrophobicContact CD2-CE 4.35Å; L163-M196 HydrophobicContact CG-CE 4.38Å
164	S	98.5	Very high	97.4	Very high	27 Å²	27	45.3 Å²	45.3	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	153.3	173.8	66.7	0	0	0	0	112.2	G153 S166 E167 L168	G153-S164 CarbonylContact O-C 3.08Å; G153-S164 WeakPolarHBondContact O-CA 3.12Å; S164-S166 PolarHBondContact O-N 2.85Å; S164-S166 PolarHBondContact OG-OG 2.87Å; S164-E167 WeakPolarHBondContact CB-OE2 3.25Å; S164-E167 PolarHBondContact N-OE2 2.79Å; S164-E167 PolarHBondContact O-N 2.72Å; S164-E167 WeakPolarHBondContact OG-CB 3.26Å; S164-E167 VanDerWaalsContact OG-CD 3.26Å; S164-E167 WeakPolarHBondContact OG-CG 3.46Å; S164-E167 PolarHBondContact OG-N 2.68Å; S164-E167 VanDerWaalsContact OG-N 3.09Å; S164-E167 PolarHBondContact OG-OE2 3.3Å; S164-L168 PolarHBondContact O-N 3.2Å; S164-L168 VanDerWaalsContact O-N 3.08Å
165	N	98.4	Very high	97.4	Very high	24 Å²	24	43 Å²	43	13%	0.128	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-28	173.2	65.6	-4.5	0	0	0	112.7	G153 A169 S195 M196 L199	G153-N165 WeakPolarHBondContact CA-ND2 3.43Å; G153-N165 PolarHBondContact O-N 3.23Å; G153-N165 PolarHBondContact O-OD1 3.21Å; N165-A169 WeakPolarHBondContact O-CB 3.39Å; N165-A169 PolarHBondContact O-N 3.44Å; N165-S195 WeakPolarHBondContact CB-O 3.48Å; N165-S195 PolarHBondContact ND2-O 3.15Å; N165-M196 HydrophobicContact CB-SD 4.21Å; N165-L199 WeakPolarHBondContact OD1-CD1 3.22Å
166	S	98.5	Very high	97.4	Very high	55 Å²	55	46.1 Å²	46.1	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-47.5	172.3	43.2	0	0	0	0	112.3	S164 L168 A169 D170	S164-S166 PolarHBondContact O-N 2.85Å; S164-S166 PolarHBondContact OG-OG 2.87Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 2.94Å; S166-A169 PolarHBondContact O-N 2.74Å; S166-D170 PolarHBondContact O-N 2.55Å
167	E	98.4	Very high	97.4	Very high	93 Å²	93	48.9 Å²	48.9	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-37.8	177.3	-73.8	164.8	128.9	0	0	111.4	L163 S164 A171	L163-E167 HydrophobicContact CD1-CB 4.02Å; S164-E167 WeakPolarHBondContact CB-OE2 3.25Å; S164-E167 PolarHBondContact N-OE2 2.79Å; S164-E167 PolarHBondContact O-N 2.72Å; S164-E167 WeakPolarHBondContact OG-CB 3.26Å; S164-E167 VanDerWaalsContact OG-CD 3.26Å; S164-E167 WeakPolarHBondContact OG-CG 3.46Å; S164-E167 PolarHBondContact OG-N 2.68Å; S164-E167 VanDerWaalsContact OG-N 3.09Å; S164-E167 PolarHBondContact OG-OE2 3.3Å; E167-A171 WeakPolarHBondContact O-CB 3.32Å; E167-A171 PolarHBondContact O-N 2.89Å
168	L	98.7	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-44.6	175.4	-177	59.4	0	0	0	111.9	F116 L120 L163 S164 S166 A171 I172 F186 M196 F200	F116-L168 HydrophobicContact CE1-CD1 3.97Å; F116-L168 HydrophobicContact CZ-CD1 4.29Å; L120-L168 HydrophobicContact CD1-CD1 4.32Å; L163-L168 HydrophobicContact CD1-CB 4.35Å; L163-L168 HydrophobicContact CD2-CB 4.39Å; L163-L168 HydrophobicContact CD2-CD1 4.39Å; L163-L168 HydrophobicContact CG-CB 4.47Å; S164-L168 PolarHBondContact O-N 3.2Å; S164-L168 VanDerWaalsContact O-N 3.08Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 2.94Å; L168-A171 PolarHBondContact O-N 2.83Å; L168-I172 HydrophobicContact CD1-CD1 4.34Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.34Å; L168-I172 PolarHBondContact O-N 2.79Å; L168-F186 HydrophobicContact CD2-CD2 4.49Å; L168-F186 HydrophobicContact CD2-CE1 4.12Å; L168-F186 HydrophobicContact CD2-CE2 3.69Å; L168-F186 HydrophobicContact CD2-CZ 3.47Å; L168-F186 VanDerWaalsContact CD2-CZ 3.47Å; L168-M196 HydrophobicContact CD2-CE 3.91Å; L168-F200 HydrophobicContact CB-CE1 4.38Å; L168-F200 HydrophobicContact CD2-CE1 3.85Å; L168-F200 HydrophobicContact CD2-CZ 3.74Å; L168-F200 HydrophobicContact CG-CE1 3.73Å; L168-F200 HydrophobicContact CG-CZ 3.96Å
169	A	98.8	Very high	97.6	Very high	2 Å²	2	60 Å²	60	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-46.7	175.9	0	0	0	0	0	111.6	N165 S166 A171 I172 E173 L199 F200 Y201	N165-A169 WeakPolarHBondContact O-CB 3.39Å; N165-A169 PolarHBondContact O-N 3.44Å; S166-A169 PolarHBondContact O-N 2.74Å; A169-A171 VanDerWaalsContact C-N 3.31Å; A169-A171 PolarHBondContact O-N 2.69Å; A169-I172 PolarHBondContact O-N 3.17Å; A169-E173 PolarHBondContact O-N 3.46Å; A169-L199 HydrophobicContact CB-CB 4.16Å; A169-L199 WeakPolarHBondContact CB-O 3.49Å; A169-F200 HydrophobicContact CB-CD1 3.96Å; A169-Y201 HydrophobicContact CB-CD1 4.36Å; A169-Y201 HydrophobicContact CB-CE1 4.09Å
170	D	98.7	Very high	98	Very high	79 Å²	79	57 Å²	57	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-35.4	177.6	-73.3	-8.1	0	0	0	112.2	S166 Q174 Y201	S166-D170 PolarHBondContact O-N 2.55Å; D170-Q174 WeakPolarHBondContact O-CB 3.46Å; D170-Q174 WeakPolarHBondContact O-CG 3.2Å; D170-Q174 PolarHBondContact O-N 2.92Å; D170-Q174 PolarHBondContact O-NE2 3.24Å; D170-Y201 PolarHBondContact OD1-OH 2.01Å
171	A	98.8	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-43.5	176.4	0	0	0	0	0	111.9	I117 L120 T121 E167 L168 A169 E173 Q174 M175	I117-A171 HydrophobicContact CD1-CB 3.59Å; I117-A171 HydrophobicContact CG2-CB 4.33Å; L120-A171 HydrophobicContact CD1-CB 4.45Å; T121-A171 HydrophobicContact CG2-CB 4.22Å; E167-A171 WeakPolarHBondContact O-CB 3.32Å; E167-A171 PolarHBondContact O-N 2.89Å; L168-A171 PolarHBondContact O-N 2.83Å; A169-A171 VanDerWaalsContact C-N 3.31Å; A169-A171 PolarHBondContact O-N 2.69Å; A171-E173 VanDerWaalsContact C-N 3.33Å; A171-Q174 WeakPolarHBondContact O-CB 3.21Å; A171-Q174 PolarHBondContact O-N 3.32Å; A171-M175 WeakPolarHBondContact O-CG 3.27Å; A171-M175 PolarHBondContact O-N 3.23Å
172	I	98.8	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-39.5	175.4	-67.3	173.4	0	0	0	110.5	L168 A169 Q174 M175 W176 Y181 L184 F200 V205	L168-I172 HydrophobicContact CD1-CD1 4.34Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.34Å; L168-I172 PolarHBondContact O-N 2.79Å; A169-I172 PolarHBondContact O-N 3.17Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 3.38Å; I172-M175 WeakPolarHBondContact O-CA 3.31Å; I172-M175 VanDerWaalsContact O-CB 3.31Å; I172-M175 WeakPolarHBondContact O-CB 3.42Å; I172-M175 PolarHBondContact O-N 2.81Å; I172-M175 VanDerWaalsContact O-N 3.08Å; I172-W176 PolarHBondContact O-N 3.35Å; I172-Y181 HydrophobicContact CG2-CE1 4.41Å; I172-L184 HydrophobicContact CD1-CD2 4.39Å; I172-L184 HydrophobicContact CG1-CD1 4.48Å; I172-L184 HydrophobicContact CG2-CD1 4.35Å; I172-F200 HydrophobicContact CD1-CD1 4.05Å; I172-F200 HydrophobicContact CD1-CD2 4.22Å; I172-F200 HydrophobicContact CD1-CE1 3.58Å; I172-F200 HydrophobicContact CD1-CE2 3.72Å; I172-F200 HydrophobicContact CD1-CG 4.37Å; I172-F200 HydrophobicContact CD1-CZ 3.38Å; I172-V205 HydrophobicContact CG2-CG2 3.91Å
173	E	98.7	Very high	98.5	Very high	31 Å²	31	42.1 Å²	42.1	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-42.6	174.4	179.5	62.4	-165	0	0	112.2	A169 A171 M175 W176 Q177 Y201 S202	A169-E173 PolarHBondContact O-N 3.46Å; A171-E173 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 2.86Å; E173-W176 WeakPolarHBondContact O-CB 3.39Å; E173-W176 PolarHBondContact O-N 3.41Å; E173-W176 VanDerWaalsContact O-N 3.13Å; E173-Q177 HydrophobicContact CG-CG 4.27Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 3.5Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.24Å; E173-Q177 PolarHBondContact OE1-NE2 3.32Å; E173-Y201 HydrophobicContact CB-CE2 3.65Å; E173-Y201 VanDerWaalsContact CB-OH 3.28Å; E173-Y201 WeakPolarHBondContact CB-OH 3.24Å; E173-Y201 VanDerWaalsContact CD-CE2 3.49Å; E173-Y201 HydrophobicContact CG-CD2 4.46Å; E173-Y201 HydrophobicContact CG-CE2 3.42Å; E173-Y201 VanDerWaalsContact CG-CE2 3.42Å; E173-Y201 WeakPolarHBondContact CG-OH 3.49Å; E173-Y201 WeakPolarHBondContact OE2-CE2 3.44Å; E173-S202 WeakPolarHBondContact CA-OG 3.32Å; E173-S202 WeakPolarHBondContact CB-OG 3.29Å; E173-S202 PolarHBondContact N-OG 3.31Å; E173-S202 WeakPolarHBondContact OE2-CA 3.41Å; E173-S202 VanDerWaalsContact OE2-CB 3.3Å; E173-S202 WeakPolarHBondContact OE2-CB 3.38Å; E173-S202 PolarHBondContact OE2-OG 3.09Å
174	Q	98.6	Very high	98.5	Very high	51 Å²	51	42.1 Å²	42.1	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-32.8	174.5	-72.9	169.1	78.5	0	0	112.3	T121 D170 A171 I172 K178	T121-Q174 HydrophobicContact CG2-CB 4.05Å; D170-Q174 WeakPolarHBondContact O-CB 3.46Å; D170-Q174 WeakPolarHBondContact O-CG 3.2Å; D170-Q174 PolarHBondContact O-N 2.92Å; D170-Q174 PolarHBondContact O-NE2 3.24Å; A171-Q174 WeakPolarHBondContact O-CB 3.21Å; A171-Q174 PolarHBondContact O-N 3.32Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 3.38Å; Q174-K178 VanDerWaalsContact O-CB 3.26Å; Q174-K178 WeakPolarHBondContact O-CB 3.45Å; Q174-K178 WeakPolarHBondContact O-CG 3.42Å; Q174-K178 PolarHBondContact O-N 2.81Å
175	M	98.7	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-45.6	171.8	-66.3	174.3	69.9	0	0	111.2	L120 L134 I142 A171 I172 E173 K178 R179 R180 Y181 L184	L120-M175 HydrophobicContact CB-CG 4.39Å; L120-M175 HydrophobicContact CB-SD 3.73Å; L120-M175 HydrophobicContact CD1-SD 4.44Å; L120-M175 HydrophobicContact CD2-SD 4.13Å; L120-M175 HydrophobicContact CG-SD 4.31Å; L120-M175 VanDerWaalsContact O-CG 3.31Å; L120-M175 WeakPolarHBondContact O-CG 3.4Å; L134-M175 HydrophobicContact CD2-CE 3.99Å; I142-M175 HydrophobicContact CD1-CE 3.46Å; I142-M175 VanDerWaalsContact CD1-CE 3.46Å; A171-M175 WeakPolarHBondContact O-CG 3.27Å; A171-M175 PolarHBondContact O-N 3.23Å; I172-M175 WeakPolarHBondContact O-CA 3.31Å; I172-M175 VanDerWaalsContact O-CB 3.31Å; I172-M175 WeakPolarHBondContact O-CB 3.42Å; I172-M175 PolarHBondContact O-N 2.81Å; I172-M175 VanDerWaalsContact O-N 3.08Å; E173-M175 PolarHBondContact O-N 2.86Å; M175-K178 CarbonylContact O-C 3.27Å; M175-K178 PolarHBondContact O-N 2.96Å; M175-R179 PolarHBondContact O-N 3.37Å; M175-R180 HydrophobicContact CB-CB 4.12Å; M175-R180 WeakPolarHBondContact O-CB 3.17Å; M175-R180 PolarHBondContact O-N 3.41Å; M175-Y181 HydrophobicContact CB-CD1 3.82Å; M175-Y181 HydrophobicContact CB-CE1 3.93Å; M175-Y181 HydrophobicContact CE-CD1 4.42Å; M175-L184 HydrophobicContact CE-CD1 4.22Å; M175-L184 HydrophobicContact SD-CD1 4.42Å
176	W	98.5	Very high	98.5	Very high	67 Å²	67	39.7 Å²	39.7	25%	0.254	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-51.7	178.7	177.2	-114.2	0	0	0	111.9	I172 E173 K178 R179 Y181 P203	I172-W176 PolarHBondContact O-N 3.35Å; E173-W176 WeakPolarHBondContact O-CB 3.39Å; E173-W176 PolarHBondContact O-N 3.41Å; E173-W176 VanDerWaalsContact O-N 3.13Å; W176-K178 PolarHBondContact O-N 3.13Å; W176-R179 PolarHBondContact O-N 2.94Å; W176-Y181 HydrophobicContact CB-CE1 3.81Å; W176-Y181 HydrophobicContact CE3-CD2 4.47Å; W176-Y181 HydrophobicContact CE3-CE1 4.24Å; W176-Y181 AromaticContact CE3-CE2 3.8Å; W176-Y181 HydrophobicContact CE3-CE2 3.8Å; W176-Y181 AromaticContact CE3-CZ 3.66Å; W176-Y181 HydrophobicContact CZ3-CE2 4.28Å; W176-P203 HydrophobicContact CD2-CG 4.35Å; W176-P203 HydrophobicContact CH2-CB 4.21Å; W176-P203 HydrophobicContact CZ2-CB 3.94Å; W176-P203 HydrophobicContact CZ2-CG 3.84Å
177	Q	98.3	Very high	98.5	Very high	130 Å²	130	37.2 Å²	37.2	61%	0.607	16%	0.164	S	C	*	.	H	α-helix	trans	-61.5	-31.5	-179.9	-67	-60.8	-31.3	0	0	112.6	E173 R179	E173-Q177 HydrophobicContact CG-CG 4.27Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 3.5Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.24Å; E173-Q177 PolarHBondContact OE1-NE2 3.32Å; Q177-R179 VanDerWaalsContact C-N 3.3Å
178	K	98	Very high	98.5	Very high	93 Å²	93	32.8 Å²	32.8	40%	0.404	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.3	175.7	-69.1	179.1	178.2	-173.5	0	113.9	T121 Q174 M175 W176 R180	T121-K178 PolarHBondContact O-NZ 3.11Å; Q174-K178 VanDerWaalsContact O-CB 3.26Å; Q174-K178 WeakPolarHBondContact O-CB 3.45Å; Q174-K178 WeakPolarHBondContact O-CG 3.42Å; Q174-K178 PolarHBondContact O-N 2.81Å; M175-K178 CarbonylContact O-C 3.27Å; M175-K178 PolarHBondContact O-N 2.96Å; W176-K178 PolarHBondContact O-N 3.13Å; K178-R180 VanDerWaalsContact C-N 3.32Å; K178-R180 HydrophobicContact CB-CG 3.88Å; K178-R180 PolarHBondContact O-N 3.43Å
179	R	98	Very high	98.5	Very high	165 Å²	165	32.9 Å²	32.9	62%	0.623	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	45.2	-179	-63.6	-174	-179.5	-170	1.4	112.7	D137 E138 M175 W176 Q177	D137-R179 CarbonylContact C-O 3.59Å; D137-R179 VanDerWaalsContact CA-O 3.28Å; D137-R179 WeakPolarHBondContact CA-O 3.32Å; E138-R179 HydrophobicContact CB-CB 4.13Å; E138-R179 PolarHBondContact N-O 3.41Å; E138-R179 IonicContact OE1-NH1 3.71Å; M175-R179 PolarHBondContact O-N 3.37Å; W176-R179 PolarHBondContact O-N 2.94Å; Q177-R179 VanDerWaalsContact C-N 3.3Å
180	R	98.1	Very high	98.5	Very high	38 Å²	38	33 Å²	33	14%	0.143	14%	0.144	C	C	.	.			trans	-94	-1.3	-177.5	-66.9	176.9	63.7	80.6	-1.5	113.6	V119 L120 L134 T136 D137 I142 M175 K178	V119-R180 PolarHBondContact O-NH2 3.01Å; L120-R180 PolarHBondContact O-NE 2.95Å; L120-R180 PolarHBondContact O-NH2 3.24Å; L134-R180 PolarHBondContact O-NH2 2.64Å; T136-R180 WeakPolarHBondContact CB-O 3.48Å; T136-R180 PolarHBondContact OG1-O 2.85Å; D137-R180 CarbonylContact O-C 3.57Å; D137-R180 VanDerWaalsContact O-C 3.27Å; I142-R180 WeakPolarHBondContact CD1-O 3.44Å; M175-R180 HydrophobicContact CB-CB 4.12Å; M175-R180 WeakPolarHBondContact O-CB 3.17Å; M175-R180 PolarHBondContact O-N 3.41Å; K178-R180 VanDerWaalsContact C-N 3.32Å; K178-R180 HydrophobicContact CB-CG 3.88Å; K178-R180 PolarHBondContact O-N 3.43Å
181	Y	98.4	Very high	98.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	13%	0.134	C	C	.	.			trans	-153.4	155.7	174.3	69.6	-92.8	0	0	0	112.1	D137 S140 I172 M175 W176 L184 S202 P203 N204	D137-Y181 CarbonylContact O-C 3.25Å; D137-Y181 WeakPolarHBondContact O-CA 3.04Å; D137-Y181 PolarHBondContact O-N 3.19Å; S140-Y181 CarbonylContact O-C 3.57Å; S140-Y181 WeakPolarHBondContact O-CA 3.45Å; I172-Y181 HydrophobicContact CG2-CE1 4.41Å; M175-Y181 HydrophobicContact CB-CD1 3.82Å; M175-Y181 HydrophobicContact CB-CE1 3.93Å; M175-Y181 HydrophobicContact CE-CD1 4.42Å; W176-Y181 HydrophobicContact CB-CE1 3.81Å; W176-Y181 HydrophobicContact CE3-CD2 4.47Å; W176-Y181 HydrophobicContact CE3-CE1 4.24Å; W176-Y181 AromaticContact CE3-CE2 3.8Å; W176-Y181 HydrophobicContact CE3-CE2 3.8Å; W176-Y181 AromaticContact CE3-CZ 3.66Å; W176-Y181 HydrophobicContact CZ3-CE2 4.28Å; Y181-L184 HydrophobicContact CD1-CD1 4.32Å; Y181-L184 HydrophobicContact CD2-CB 3.95Å; Y181-L184 HydrophobicContact CE1-CD1 4.43Å; Y181-L184 HydrophobicContact CE2-CB 4.05Å; Y181-L184 HydrophobicContact CG-CB 4.33Å; Y181-S202 WeakPolarHBondContact OH-CB 3.48Å; Y181-P203 WeakPolarHBondContact CE2-O 3.12Å; Y181-P203 PolarHBondContact OH-O 3.06Å; Y181-N204 HydrophobicContact CE2-CB 4.2Å
182	H	98	Very high	98.5	Very high	27 Å²	27	32.9 Å²	32.9	13%	0.125	14%	0.144	C	C	.	.	S	Bend	trans	-86.4	-58.7	166.8	171.4	-109.5	0	0	0	110.6	Y24 G25 E138 S140 N141 N204	Y24-H182 AromaticContact CE1-CE1 4Å; G25-H182 PolarHBondContact O-NE2 2.63Å; E138-H182 WeakPolarHBondContact O-CA 3.47Å; E138-H182 VanDerWaalsContact O-CB 3.29Å; E138-H182 WeakPolarHBondContact O-CB 3.45Å; S140-H182 PolarHBondContact O-N 3.39Å; N141-H182 PolarHBondContact OD1-ND1 3.31Å; H182-N204 WeakPolarHBondContact O-CB 3.32Å; H182-N204 PolarHBondContact O-ND2 2.85Å
183	E	98.2	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.8	175.6	-70.4	170.8	167.5	0	0	110	Y24 N141 I142 N204 F276 R278 F288	Y24-E183 WeakPolarHBondContact CE1-OE1 3.34Å; Y24-E183 PolarHBondContact OH-OE1 3.02Å; N141-E183 VanDerWaalsContact CA-O 3.29Å; N141-E183 WeakPolarHBondContact CA-O 3.05Å; N141-E183 PolarHBondContact ND2-OE2 2.59Å; N141-E183 WeakPolarHBondContact OD1-CB 3.42Å; N141-E183 PolarHBondContact OD1-N 3.27Å; I142-E183 PolarHBondContact N-O 2.84Å; E183-N204 WeakPolarHBondContact CA-O 3.43Å; E183-N204 HydrophobicContact CG-CB 4.28Å; E183-F276 HydrophobicContact CB-CE2 3.75Å; E183-F276 HydrophobicContact CB-CZ 4.15Å; E183-F276 HydrophobicContact CG-CE2 3.54Å; E183-F276 HydrophobicContact CG-CZ 3.8Å; E183-R278 WeakPolarHBondContact OE1-CD 3.26Å; E183-R278 IonicContact OE1-CZ 3.66Å; E183-R278 IonicContact OE1-NH1 3.53Å; E183-R278 PolarHBondContact OE1-NH1 3.37Å; E183-R278 IonicContact OE2-NH1 3.12Å; E183-R278 PolarHBondContact OE2-NH1 3.01Å; E183-F288 HydrophobicContact CB-CE1 4.12Å; E183-F288 HydrophobicContact CB-CZ 3.74Å
184	L	98.8	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128	-178.2	-172	151.9	0	0	0	110.8	I142 I144 I172 M175 Y181 F186 N204 V205 V206	I142-L184 HydrophobicContact CB-CG 4.47Å; I142-L184 CarbonylContact O-C 3.58Å; I142-L184 WeakPolarHBondContact O-CA 3.48Å; I144-L184 HydrophobicContact CD1-CD1 3.93Å; I144-L184 HydrophobicContact CD1-CD2 4.35Å; I144-L184 HydrophobicContact CD1-CG 4.4Å; I172-L184 HydrophobicContact CD1-CD2 4.39Å; I172-L184 HydrophobicContact CG1-CD1 4.48Å; I172-L184 HydrophobicContact CG2-CD1 4.35Å; M175-L184 HydrophobicContact CE-CD1 4.22Å; M175-L184 HydrophobicContact SD-CD1 4.42Å; Y181-L184 HydrophobicContact CD1-CD1 4.32Å; Y181-L184 HydrophobicContact CD2-CB 3.95Å; Y181-L184 HydrophobicContact CE1-CD1 4.43Å; Y181-L184 HydrophobicContact CE2-CB 4.05Å; Y181-L184 HydrophobicContact CG-CB 4.33Å; L184-F186 HydrophobicContact CD2-CB 3.9Å; L184-N204 PolarHBondContact N-O 2.84Å; L184-V205 HydrophobicContact CB-CG2 4.3Å; L184-V205 HydrophobicContact CD2-CG1 3.88Å; L184-V205 CarbonylContact O-C 3.37Å; L184-V205 WeakPolarHBondContact O-CA 3.35Å; L184-V206 PolarHBondContact O-N 2.88Å
185	L	98.8	Very high	98.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.6	171.5	175.9	59.3	0	0	0	108.7	I142 L143 I144 I187 V206 I208 L253 F288 F289	I142-L185 PolarHBondContact O-N 2.75Å; L143-L185 CarbonylContact C-O 3.45Å; L143-L185 WeakPolarHBondContact CA-O 3.43Å; L143-L185 HydrophobicContact CD1-CB 4.47Å; L143-L185 HydrophobicContact CD1-CD2 4.1Å; L143-L185 HydrophobicContact CD1-CG 4.11Å; I144-L185 PolarHBondContact N-O 3.45Å; L185-I187 HydrophobicContact CD1-CG1 4.19Å; L185-I187 HydrophobicContact CD2-CD1 4.1Å; L185-I187 HydrophobicContact CG-CD1 4.16Å; L185-I187 HydrophobicContact CG-CG1 4.05Å; L185-V206 HydrophobicContact CD1-CB 3.99Å; L185-V206 HydrophobicContact CD1-CG1 3.95Å; L185-I208 HydrophobicContact CD1-CD1 4.07Å; L185-I208 HydrophobicContact CD1-CG1 4.32Å; L185-L253 HydrophobicContact CD2-CD2 3.87Å; L185-F288 HydrophobicContact CB-CB 4.44Å; L185-F288 HydrophobicContact CB-CD1 3.42Å; L185-F288 VanDerWaalsContact CB-CD1 3.42Å; L185-F288 HydrophobicContact CB-CD2 4.31Å; L185-F288 HydrophobicContact CB-CE1 3.59Å; L185-F288 HydrophobicContact CB-CE2 4.46Å; L185-F288 HydrophobicContact CB-CG 3.79Å; L185-F288 HydrophobicContact CB-CZ 4.1Å; L185-F288 HydrophobicContact CD2-CB 3.94Å; L185-F288 HydrophobicContact CD2-CD1 4.4Å; L185-F288 HydrophobicContact CD2-CD2 4.22Å; L185-F288 HydrophobicContact CD2-CG 3.92Å; L185-F289 HydrophobicContact CD2-CD2 4.5Å; L185-F289 HydrophobicContact CD2-CE2 3.64Å; L185-F289 HydrophobicContact CD2-CZ 4.24Å
186	F	98.9	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.4	175.3	177.1	-106.8	0	0	0	109.9	I144 M146 L168 L184 V188 M196 F200 V206 A207 I208	I144-F186 HydrophobicContact CB-CD2 3.97Å; I144-F186 HydrophobicContact CG2-CD2 3.78Å; I144-F186 HydrophobicContact CG2-CE2 4.04Å; I144-F186 CarbonylContact O-C 3.59Å; I144-F186 WeakPolarHBondContact O-CA 3.28Å; M146-F186 HydrophobicContact CG-CE2 4.2Å; M146-F186 HydrophobicContact SD-CE2 3.77Å; M146-F186 HydrophobicContact SD-CZ 4.26Å; L168-F186 HydrophobicContact CD2-CD2 4.49Å; L168-F186 HydrophobicContact CD2-CE1 4.12Å; L168-F186 HydrophobicContact CD2-CE2 3.69Å; L168-F186 HydrophobicContact CD2-CZ 3.47Å; L168-F186 VanDerWaalsContact CD2-CZ 3.47Å; L184-F186 HydrophobicContact CD2-CB 3.9Å; F186-V188 HydrophobicContact CD1-CG1 4.39Å; F186-V188 HydrophobicContact CE1-CB 3.91Å; F186-V188 HydrophobicContact CE1-CG1 3.49Å; F186-V188 VanDerWaalsContact CE1-CG1 3.49Å; F186-V188 HydrophobicContact CZ-CB 3.75Å; F186-V188 HydrophobicContact CZ-CG1 3.84Å; F186-M196 HydrophobicContact CE1-CB 4Å; F186-M196 HydrophobicContact CZ-CB 4.25Å; F186-F200 HydrophobicContact CB-CE2 3.89Å; F186-F200 HydrophobicContact CB-CZ 4.45Å; F186-F200 AromaticContact CD1-CE2 3.54Å; F186-F200 HydrophobicContact CD1-CE2 3.54Å; F186-F200 AromaticContact CD1-CZ 3.64Å; F186-F200 HydrophobicContact CD1-CZ 3.64Å; F186-F200 HydrophobicContact CD2-CZ 4.4Å; F186-F200 HydrophobicContact CE1-CE2 4.23Å; F186-F200 AromaticContact CE1-CZ 3.9Å; F186-F200 HydrophobicContact CE1-CZ 3.9Å; F186-F200 AromaticContact CG-CE2 3.77Å; F186-F200 HydrophobicContact CG-CE2 3.77Å; F186-F200 AromaticContact CG-CZ 3.9Å; F186-F200 HydrophobicContact CG-CZ 3.9Å; F186-F200 HydrophobicContact CZ-CZ 4.42Å; F186-V206 PolarHBondContact N-O 3.01Å; F186-A207 HydrophobicContact CB-CB 4.5Å; F186-A207 HydrophobicContact CD1-CB 4.11Å; F186-A207 CarbonylContact O-C 3.58Å; F186-A207 VanDerWaalsContact O-CA 3.3Å; F186-A207 WeakPolarHBondContact O-CA 3.45Å; F186-I208 PolarHBondContact O-N 3.09Å
187	I	98.8	Very high	98.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.6	177.1	-56.6	174.3	0	0	0	108	L143 I144 Y145 M146 L185 I208 Y234 F256 F289	L143-I187 HydrophobicContact CD1-CD1 3.81Å; L143-I187 HydrophobicContact CD1-CG1 4.28Å; I144-I187 PolarHBondContact O-N 3.08Å; Y145-I187 CarbonylContact C-O 3.59Å; Y145-I187 VanDerWaalsContact CA-O 3.29Å; Y145-I187 WeakPolarHBondContact CA-O 3.48Å; Y145-I187 HydrophobicContact CD2-CB 3.96Å; Y145-I187 HydrophobicContact CD2-CG2 3.71Å; Y145-I187 HydrophobicContact CE2-CG2 4.1Å; M146-I187 PolarHBondContact N-O 3.3Å; L185-I187 HydrophobicContact CD1-CG1 4.19Å; L185-I187 HydrophobicContact CD2-CD1 4.1Å; L185-I187 HydrophobicContact CG-CD1 4.16Å; L185-I187 HydrophobicContact CG-CG1 4.05Å; I187-I208 WeakPolarHBondContact CA-O 3.47Å; I187-I208 HydrophobicContact CG1-CB 4.3Å; I187-Y234 HydrophobicContact CG2-CE1 3.61Å; I187-Y234 VanDerWaalsContact CG2-OH 3.27Å; I187-Y234 WeakPolarHBondContact CG2-OH 3.32Å; I187-F256 HydrophobicContact CD1-CE1 3.58Å; I187-F256 HydrophobicContact CD1-CZ 3.9Å; I187-F289 HydrophobicContact CD1-CE2 4.49Å; I187-F289 HydrophobicContact CD1-CZ 3.75Å
188	V	98.8	Very high	98.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.1	175.6	55.1	0	0	0	0	111.1	M146 L155 F186 T190 A193 M196 I208 S210	M146-V188 HydrophobicContact CB-CG2 4.3Å; M146-V188 CarbonylContact O-C 3.59Å; M146-V188 VanDerWaalsContact O-CA 3.32Å; M146-V188 WeakPolarHBondContact O-CA 3.44Å; L155-V188 HydrophobicContact CD1-CG2 4.42Å; F186-V188 HydrophobicContact CD1-CG1 4.39Å; F186-V188 HydrophobicContact CE1-CB 3.91Å; F186-V188 HydrophobicContact CE1-CG1 3.49Å; F186-V188 VanDerWaalsContact CE1-CG1 3.49Å; F186-V188 HydrophobicContact CZ-CB 3.75Å; F186-V188 HydrophobicContact CZ-CG1 3.84Å; V188-T190 HydrophobicContact CG2-CG2 3.67Å; V188-A193 HydrophobicContact CG1-CB 4.09Å; V188-M196 HydrophobicContact CG1-CB 4.06Å; V188-M196 HydrophobicContact CG1-CG 4.43Å; V188-I208 PolarHBondContact N-O 3.31Å; V188-S210 PolarHBondContact O-N 2.92Å; V188-S210 VanDerWaalsContact O-N 3.07Å
189	D	98.7	Very high	98.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	99.5	172.2	-164.4	-1.7	0	0	0	110.7	M146 T147 G148 S210 S217 D232 Y234 S235	M146-D189 PolarHBondContact O-N 3.45Å; T147-D189 WeakPolarHBondContact CA-O 3.27Å; G148-D189 PolarHBondContact N-O 3.1Å; D189-S210 VanDerWaalsContact CA-OG 3.31Å; D189-S210 WeakPolarHBondContact CA-OG 3.34Å; D189-S210 WeakPolarHBondContact OD1-CB 3.36Å; D189-S210 PolarHBondContact OD1-OG 2.64Å; D189-S217 PolarHBondContact OD1-OG 2.92Å; D189-D232 WeakPolarHBondContact OD2-CB 3.45Å; D189-Y234 HydrophobicContact CB-CD1 4Å; D189-S235 WeakPolarHBondContact OD2-CB 3.46Å; D189-S235 PolarHBondContact OD2-N 3.16Å; D189-S235 VanDerWaalsContact OD2-N 3.17Å; D189-S235 PolarHBondContact OD2-OG 2.99Å
190	T	98.5	Very high	98.5	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.025	10%	0.1	C	C	.	.	S	Bend	trans	-162.8	173.8	-178.6	-160.6	0	0	0	0	111.5	G148 G150 L155 V188 A193 S210 S211 S217	G148-T190 VanDerWaalsContact O-CB 3.27Å; G148-T190 WeakPolarHBondContact O-CB 3.25Å; G148-T190 PolarHBondContact O-OG1 3.03Å; G150-T190 WeakPolarHBondContact CA-OG1 3.14Å; G150-T190 PolarHBondContact N-OG1 2.93Å; L155-T190 HydrophobicContact CD1-CG2 3.85Å; L155-T190 WeakPolarHBondContact CD1-OG1 3.33Å; V188-T190 HydrophobicContact CG2-CG2 3.67Å; T190-A193 HydrophobicContact CG2-CB 4Å; T190-A193 WeakPolarHBondContact O-CB 3.48Å; T190-S210 PolarHBondContact N-OG 2.67Å; T190-S210 VanDerWaalsContact N-OG 3.15Å; T190-S210 PolarHBondContact O-OG 2.86Å; T190-S211 PolarHBondContact O-OG 2.91Å; T190-S217 WeakPolarHBondContact O-CB 3.41Å
191	C	98.2	Very high	98.5	Very high	32 Å²	32	24.3 Å²	24.3	22%	0.216	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	137.4	171.8	-60.9	0	0	0	0	110.8	A193	C191-A193 PolarHBondContact O-N 2.84Å
192	Q	98.4	Very high	98.5	Very high	46 Å²	46	24.2 Å²	24.2	22%	0.215	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	37.5	-176.5	-48.2	-169.4	57.8	0	0	113.9	E194 S195 S211 E215	Q192-E194 VanDerWaalsContact C-N 3.29Å; Q192-E194 PolarHBondContact O-N 2.8Å; Q192-S195 VanDerWaalsContact O-CB 3.3Å; Q192-S195 WeakPolarHBondContact O-CB 3.32Å; Q192-S195 PolarHBondContact O-N 2.69Å; Q192-S195 PolarHBondContact O-OG 3.07Å; Q192-S211 PolarHBondContact N-OG 3.31Å; Q192-E215 WeakPolarHBondContact CG-O 3.41Å; Q192-E215 PolarHBondContact N-O 3.13Å
193	A	98.5	Very high	98.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.2	-170.6	0	0	0	0	0	114.5	V188 T190 C191 S195 M196 S210 S211	V188-A193 HydrophobicContact CG1-CB 4.09Å; T190-A193 HydrophobicContact CG2-CB 4Å; T190-A193 WeakPolarHBondContact O-CB 3.48Å; C191-A193 PolarHBondContact O-N 2.84Å; A193-S195 PolarHBondContact O-N 3.41Å; A193-S195 VanDerWaalsContact O-N 3.14Å; A193-M196 WeakPolarHBondContact O-CB 3.46Å; A193-M196 PolarHBondContact O-N 3.11Å; A193-M196 VanDerWaalsContact O-N 3.12Å; A193-S210 VanDerWaalsContact CB-N 3.3Å; A193-S211 PolarHBondContact N-O 3.07Å; A193-S211 PolarHBondContact N-OG 3.48Å
194	E	98.5	Very high	98.5	Very high	65 Å²	65	25.2 Å²	25.2	30%	0.304	12%	0.123	S	C	.	.	H	α-helix	trans	-48.8	-39.1	174.5	174.6	-174.8	-163.7	0	0	112.4	Q192 M196 G197 K198 S211 I213 I270	Q192-E194 VanDerWaalsContact C-N 3.29Å; Q192-E194 PolarHBondContact O-N 2.8Å; E194-M196 PolarHBondContact O-N 3.15Å; E194-M196 VanDerWaalsContact O-N 3.16Å; E194-G197 PolarHBondContact O-N 3.3Å; E194-K198 PolarHBondContact O-N 2.98Å; E194-S211 PolarHBondContact N-O 2.94Å; E194-I213 HydrophobicContact CB-CG1 4.21Å; E194-I213 HydrophobicContact CG-CD1 4.4Å; E194-I213 HydrophobicContact CG-CG1 4.24Å; E194-I213 PolarHBondContact OE2-N 3.38Å; E194-I270 HydrophobicContact CB-CB 4.03Å; E194-I270 HydrophobicContact CB-CG1 4.09Å; E194-I270 HydrophobicContact CB-CG2 4.3Å; E194-I270 HydrophobicContact CG-CB 4.05Å; E194-I270 HydrophobicContact CG-CG1 4.2Å; E194-I270 HydrophobicContact CG-CG2 3.76Å
195	S	98.5	Very high	98.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-26.1	-176	69.6	0	0	0	0	113.7	G151 G153 N165 Q192 A193 K198	G151-S195 PolarHBondContact O-OG 3.1Å; G153-S195 PolarHBondContact N-OG 2.93Å; N165-S195 WeakPolarHBondContact CB-O 3.48Å; N165-S195 PolarHBondContact ND2-O 3.15Å; Q192-S195 VanDerWaalsContact O-CB 3.3Å; Q192-S195 WeakPolarHBondContact O-CB 3.32Å; Q192-S195 PolarHBondContact O-N 2.69Å; Q192-S195 PolarHBondContact O-OG 3.07Å; A193-S195 PolarHBondContact O-N 3.41Å; A193-S195 VanDerWaalsContact O-N 3.14Å; S195-K198 WeakPolarHBondContact O-CB 3.11Å; S195-K198 PolarHBondContact O-N 3.12Å
196	M	98.6	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.4	-35.4	-179.2	-68	-57	-63.4	0	0	112.7	L155 L163 N165 L168 F186 V188 A193 E194 F200	L155-M196 HydrophobicContact CB-CE 4.01Å; L155-M196 HydrophobicContact CB-SD 4.29Å; L163-M196 HydrophobicContact CD2-CE 4.35Å; L163-M196 HydrophobicContact CG-CE 4.38Å; N165-M196 HydrophobicContact CB-SD 4.21Å; L168-M196 HydrophobicContact CD2-CE 3.91Å; F186-M196 HydrophobicContact CE1-CB 4Å; F186-M196 HydrophobicContact CZ-CB 4.25Å; V188-M196 HydrophobicContact CG1-CB 4.06Å; V188-M196 HydrophobicContact CG1-CG 4.43Å; A193-M196 WeakPolarHBondContact O-CB 3.46Å; A193-M196 PolarHBondContact O-N 3.11Å; A193-M196 VanDerWaalsContact O-N 3.12Å; E194-M196 PolarHBondContact O-N 3.15Å; E194-M196 VanDerWaalsContact O-N 3.16Å; M196-F200 VanDerWaalsContact O-CE1 3.32Å; M196-F200 WeakPolarHBondContact O-CE1 3.39Å
197	G	98.1	Very high	98.5	Very high	5 Å²	5	25.8 Å²	25.8	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-90	-7.4	177.3	0	0	0	0	0	114.2	E194 L199 F200 R272	E194-G197 PolarHBondContact O-N 3.3Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-L199 PolarHBondContact O-N 2.92Å; G197-F200 WeakPolarHBondContact O-CG 3.45Å; G197-F200 PolarHBondContact O-N 3.37Å; G197-R272 PolarHBondContact O-NH1 3.08Å
198	K	97.8	Very high	98.5	Very high	116 Å²	116	25.8 Å²	25.8	50%	0.504	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.4	-172.3	-175.3	172.8	178.5	179.4	0	113.8	E194 S195 I213 R272	E194-K198 PolarHBondContact O-N 2.98Å; S195-K198 WeakPolarHBondContact O-CB 3.11Å; S195-K198 PolarHBondContact O-N 3.12Å; K198-I213 HydrophobicContact CD-CD1 3.81Å; K198-R272 PolarHBondContact O-NH1 3.16Å
199	L	98.3	Very high	98.5	Very high	83 Å²	83	25.9 Å²	25.9	44%	0.435	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.9	-179.3	-62.8	-171	0	0	0	113.8	N165 A169 G197 Y201	N165-L199 WeakPolarHBondContact OD1-CD1 3.22Å; A169-L199 HydrophobicContact CB-CB 4.16Å; A169-L199 WeakPolarHBondContact CB-O 3.49Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-L199 PolarHBondContact O-N 2.92Å; L199-Y201 VanDerWaalsContact O-CD1 3.32Å; L199-Y201 WeakPolarHBondContact O-CD1 3.5Å; L199-Y201 PolarHBondContact O-N 2.91Å
200	F	98.7	Very high	98.5	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.026	13%	0.129	C	C	.	.			trans	-62.1	138.3	174.3	-63.5	-9	0	0	0	110.5	L168 A169 I172 F186 M196 G197 V205 A207 R272 L275	L168-F200 HydrophobicContact CB-CE1 4.38Å; L168-F200 HydrophobicContact CD2-CE1 3.85Å; L168-F200 HydrophobicContact CD2-CZ 3.74Å; L168-F200 HydrophobicContact CG-CE1 3.73Å; L168-F200 HydrophobicContact CG-CZ 3.96Å; A169-F200 HydrophobicContact CB-CD1 3.96Å; I172-F200 HydrophobicContact CD1-CD1 4.05Å; I172-F200 HydrophobicContact CD1-CD2 4.22Å; I172-F200 HydrophobicContact CD1-CE1 3.58Å; I172-F200 HydrophobicContact CD1-CE2 3.72Å; I172-F200 HydrophobicContact CD1-CG 4.37Å; I172-F200 HydrophobicContact CD1-CZ 3.38Å; F186-F200 HydrophobicContact CB-CE2 3.89Å; F186-F200 HydrophobicContact CB-CZ 4.45Å; F186-F200 AromaticContact CD1-CE2 3.54Å; F186-F200 HydrophobicContact CD1-CE2 3.54Å; F186-F200 AromaticContact CD1-CZ 3.64Å; F186-F200 HydrophobicContact CD1-CZ 3.64Å; F186-F200 HydrophobicContact CD2-CZ 4.4Å; F186-F200 HydrophobicContact CE1-CE2 4.23Å; F186-F200 AromaticContact CE1-CZ 3.9Å; F186-F200 HydrophobicContact CE1-CZ 3.9Å; F186-F200 AromaticContact CG-CE2 3.77Å; F186-F200 HydrophobicContact CG-CE2 3.77Å; F186-F200 AromaticContact CG-CZ 3.9Å; F186-F200 HydrophobicContact CG-CZ 3.9Å; F186-F200 HydrophobicContact CZ-CZ 4.42Å; M196-F200 VanDerWaalsContact O-CE1 3.32Å; M196-F200 WeakPolarHBondContact O-CE1 3.39Å; G197-F200 WeakPolarHBondContact O-CG 3.45Å; G197-F200 PolarHBondContact O-N 3.37Å; F200-V205 HydrophobicContact CD2-CG1 3.68Å; F200-V205 HydrophobicContact CE2-CG1 4.12Å; F200-A207 HydrophobicContact CD2-CB 4.06Å; F200-A207 HydrophobicContact CE2-CB 3.95Å; F200-R272 PolarHBondContact O-NH1 2.91Å; F200-R272 PolarHBondContact O-NH2 3.09Å; F200-R272 VanDerWaalsContact O-NH2 3.14Å; F200-L275 HydrophobicContact CB-CD1 3.73Å; F200-L275 WeakPolarHBondContact O-CD1 3.4Å
201	Y	98.4	Very high	98.5	Very high	116 Å²	116	25.7 Å²	25.7	46%	0.455	13%	0.127	S	C	.	.			trans	-137.1	-4.1	178.3	59.4	-94.4	0	0	0	112.9	A169 D170 E173 L199	A169-Y201 HydrophobicContact CB-CD1 4.36Å; A169-Y201 HydrophobicContact CB-CE1 4.09Å; D170-Y201 PolarHBondContact OD1-OH 2.01Å; E173-Y201 HydrophobicContact CB-CE2 3.65Å; E173-Y201 VanDerWaalsContact CB-OH 3.28Å; E173-Y201 WeakPolarHBondContact CB-OH 3.24Å; E173-Y201 VanDerWaalsContact CD-CE2 3.49Å; E173-Y201 HydrophobicContact CG-CD2 4.46Å; E173-Y201 HydrophobicContact CG-CE2 3.42Å; E173-Y201 VanDerWaalsContact CG-CE2 3.42Å; E173-Y201 WeakPolarHBondContact CG-OH 3.49Å; E173-Y201 WeakPolarHBondContact OE2-CE2 3.44Å; L199-Y201 VanDerWaalsContact O-CD1 3.32Å; L199-Y201 WeakPolarHBondContact O-CD1 3.5Å; L199-Y201 PolarHBondContact O-N 2.91Å
202	S	98.5	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-76.3	141.9	177.7	-47.9	0	0	0	0	111.5	E173 Y181	E173-S202 WeakPolarHBondContact CA-OG 3.32Å; E173-S202 WeakPolarHBondContact CB-OG 3.29Å; E173-S202 PolarHBondContact N-OG 3.31Å; E173-S202 WeakPolarHBondContact OE2-CA 3.41Å; E173-S202 VanDerWaalsContact OE2-CB 3.3Å; E173-S202 WeakPolarHBondContact OE2-CB 3.38Å; E173-S202 PolarHBondContact OE2-OG 3.09Å; Y181-S202 WeakPolarHBondContact OH-CB 3.48Å
203	P	98.4	Very high	98.5	Very high	40 Å²	40	25.1 Å²	25.1	26%	0.26	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	160.1	177.8	-22.8	34.3	0	0	0	113.9	W176 Y181 V205	W176-P203 HydrophobicContact CD2-CG 4.35Å; W176-P203 HydrophobicContact CH2-CB 4.21Å; W176-P203 HydrophobicContact CZ2-CB 3.94Å; W176-P203 HydrophobicContact CZ2-CG 3.84Å; Y181-P203 WeakPolarHBondContact CE2-O 3.12Å; Y181-P203 PolarHBondContact OH-O 3.06Å; P203-V205 VanDerWaalsContact C-N 3.32Å; P203-V205 PolarHBondContact O-N 2.81Å
204	N	98.2	Very high	98.4	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.043	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	34.5	172.2	-57.3	-17	0	0	0	114.1	Y181 H182 E183 L184 L275 R277	Y181-N204 HydrophobicContact CE2-CB 4.2Å; H182-N204 WeakPolarHBondContact O-CB 3.32Å; H182-N204 PolarHBondContact O-ND2 2.85Å; E183-N204 WeakPolarHBondContact CA-O 3.43Å; E183-N204 HydrophobicContact CG-CB 4.28Å; L184-N204 PolarHBondContact N-O 2.84Å; N204-L275 WeakPolarHBondContact CA-O 3.43Å; N204-L275 PolarHBondContact N-O 3.03Å; N204-R277 VanDerWaalsContact OD1-CD 3.3Å; N204-R277 WeakPolarHBondContact OD1-CD 3.37Å; N204-R277 WeakPolarHBondContact OD1-CG 3.35Å
205	V	98.7	Very high	98.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.1	176.2	-176.6	0	0	0	0	110.8	I172 L184 F200 P203	I172-V205 HydrophobicContact CG2-CG2 3.91Å; L184-V205 HydrophobicContact CB-CG2 4.3Å; L184-V205 HydrophobicContact CD2-CG1 3.88Å; L184-V205 CarbonylContact O-C 3.37Å; L184-V205 WeakPolarHBondContact O-CA 3.35Å; F200-V205 HydrophobicContact CD2-CG1 3.68Å; F200-V205 HydrophobicContact CE2-CG1 4.12Å; P203-V205 VanDerWaalsContact C-N 3.32Å; P203-V205 PolarHBondContact O-N 2.81Å
206	V	98.7	Very high	98.3	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.8	162	179.4	0	0	0	0	107.9	L184 L185 F186 I208 T271 R272 F276 I280	L184-V206 PolarHBondContact O-N 2.88Å; L185-V206 HydrophobicContact CD1-CB 3.99Å; L185-V206 HydrophobicContact CD1-CG1 3.95Å; F186-V206 PolarHBondContact N-O 3.01Å; V206-I208 HydrophobicContact CG1-CG1 4.38Å; V206-T271 HydrophobicContact CG1-CG2 4.19Å; V206-R272 WeakPolarHBondContact CA-O 3.32Å; V206-F276 HydrophobicContact CG2-CB 3.68Å; V206-F276 HydrophobicContact CG2-CD1 3.63Å; V206-F276 HydrophobicContact CG2-CD2 3.58Å; V206-F276 HydrophobicContact CG2-CE1 4.1Å; V206-F276 HydrophobicContact CG2-CE2 4.07Å; V206-F276 HydrophobicContact CG2-CG 3.36Å; V206-F276 HydrophobicContact CG2-CZ 4.32Å; V206-I280 HydrophobicContact CG2-CG2 3.9Å
207	A	98.8	Very high	98.2	Very high	8 Å²	8	34.8 Å²	34.8	7%	0.066	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.5	175.1	0	0	0	0	0	110.8	F186 F200 T271 R272	F186-A207 HydrophobicContact CB-CB 4.5Å; F186-A207 HydrophobicContact CD1-CB 4.11Å; F186-A207 CarbonylContact O-C 3.58Å; F186-A207 VanDerWaalsContact O-CA 3.3Å; F186-A207 WeakPolarHBondContact O-CA 3.45Å; F200-A207 HydrophobicContact CD2-CB 4.06Å; F200-A207 HydrophobicContact CE2-CB 3.95Å; A207-T271 CarbonylContact O-C 3.56Å; A207-T271 WeakPolarHBondContact O-CA 3.04Å; A207-R272 HydrophobicContact CB-CB 4.34Å; A207-R272 PolarHBondContact N-O 2.69Å; A207-R272 PolarHBondContact O-N 2.71Å
208	I	98.7	Very high	98.2	Very high	3 Å²	3	37 Å²	37	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.3	175.5	-53.7	179.5	0	0	0	108.5	L185 F186 I187 V188 V206 Y234 F256 V269 I270 T271	L185-I208 HydrophobicContact CD1-CD1 4.07Å; L185-I208 HydrophobicContact CD1-CG1 4.32Å; F186-I208 PolarHBondContact O-N 3.09Å; I187-I208 WeakPolarHBondContact CA-O 3.47Å; I187-I208 HydrophobicContact CG1-CB 4.3Å; V188-I208 PolarHBondContact N-O 3.31Å; V206-I208 HydrophobicContact CG1-CG1 4.38Å; I208-Y234 HydrophobicContact CG2-CE2 4.33Å; I208-Y234 WeakPolarHBondContact CG2-OH 3.16Å; I208-F256 HydrophobicContact CD1-CD1 3.83Å; I208-F256 HydrophobicContact CD1-CE1 4.08Å; I208-V269 HydrophobicContact CG2-CG1 3.77Å; I208-I270 CarbonylContact C-O 3.57Å; I208-I270 WeakPolarHBondContact CA-O 3.38Å; I208-T271 HydrophobicContact CG1-CG2 4.09Å
209	G	98.6	Very high	98.1	Very high	3 Å²	3	33 Å²	33	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.3	173.7	0	0	0	0	0	111.2	S211 V269 I270	G209-S211 VanDerWaalsContact C-N 3.25Å; G209-S211 PolarHBondContact O-N 3.05Å; G209-V269 WeakPolarHBondContact O-CA 3.31Å; G209-I270 PolarHBondContact N-O 3.09Å; G209-I270 PolarHBondContact O-N 3.03Å
210	S	98.6	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-70.8	-13.6	-179.9	65.8	0	0	0	0	115.6	V188 D189 T190 A193 S217 Y234 S267	V188-S210 PolarHBondContact O-N 2.92Å; V188-S210 VanDerWaalsContact O-N 3.07Å; D189-S210 VanDerWaalsContact CA-OG 3.31Å; D189-S210 WeakPolarHBondContact CA-OG 3.34Å; D189-S210 WeakPolarHBondContact OD1-CB 3.36Å; D189-S210 PolarHBondContact OD1-OG 2.64Å; T190-S210 PolarHBondContact N-OG 2.67Å; T190-S210 VanDerWaalsContact N-OG 3.15Å; T190-S210 PolarHBondContact O-OG 2.86Å; A193-S210 VanDerWaalsContact CB-N 3.3Å; S210-S217 PolarHBondContact OG-OG 2.88Å; S210-Y234 VanDerWaalsContact CB-CG 3.49Å; S210-S267 PolarHBondContact O-OG 3.05Å
211	S	98.6	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-147.3	148.5	-178.8	57.2	0	0	0	0	111	T190 Q192 A193 E194 G209 T268	T190-S211 PolarHBondContact O-OG 2.91Å; Q192-S211 PolarHBondContact N-OG 3.31Å; A193-S211 PolarHBondContact N-O 3.07Å; A193-S211 PolarHBondContact N-OG 3.48Å; E194-S211 PolarHBondContact N-O 2.94Å; G209-S211 VanDerWaalsContact C-N 3.25Å; G209-S211 PolarHBondContact O-N 3.05Å; S211-T268 CarbonylContact C-O 3.58Å; S211-T268 VanDerWaalsContact C-O 3.25Å; S211-T268 VanDerWaalsContact CA-O 3.3Å; S211-T268 WeakPolarHBondContact CA-O 3.48Å
212	A	98.4	Very high	97.6	Very high	13 Å²	13	29.9 Å²	29.9	11%	0.107	18%	0.182	C	C	.	.			trans	-77.4	164.9	174.9	0	0	0	0	0	111.6	G214 E215 T268 I270	A212-G214 PolarHBondContact O-N 3.03Å; A212-E215 HydrophobicContact CB-CG 4.29Å; A212-E215 PolarHBondContact N-OE2 3.31Å; A212-E215 VanDerWaalsContact N-OE2 3.17Å; A212-E215 PolarHBondContact O-N 3.39Å; A212-T268 PolarHBondContact N-O 2.94Å; A212-T268 VanDerWaalsContact N-O 3.07Å; A212-I270 HydrophobicContact CB-CD1 4.15Å; A212-I270 HydrophobicContact CB-CG1 3.84Å
213	I	98.2	Very high	97.4	Very high	54 Å²	54	30 Å²	30	28%	0.277	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	129.5	170.1	-65.7	171.4	0	0	0	109.5	E152 E194 K198	E152-I213 HydrophobicContact CG-CG2 4.3Å; E194-I213 HydrophobicContact CB-CG1 4.21Å; E194-I213 HydrophobicContact CG-CD1 4.4Å; E194-I213 HydrophobicContact CG-CG1 4.24Å; E194-I213 PolarHBondContact OE2-N 3.38Å; K198-I213 HydrophobicContact CD-CD1 3.81Å
214	G	97.6	Very high	97.2	Very high	65 Å²	65	39.7 Å²	39.7	67%	0.67	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	-2	-174.7	0	0	0	0	0	115.9	A212	A212-G214 PolarHBondContact O-N 3.03Å
215	E	98.1	Very high	96.9	Very high	54 Å²	54	44.1 Å²	44.1	25%	0.252	24%	0.235	S	C	.	.			trans	-108.9	153.1	175.7	-63.4	179.1	161.8	0	0	112.6	Q192 A212 T268	Q192-E215 WeakPolarHBondContact CG-O 3.41Å; Q192-E215 PolarHBondContact N-O 3.13Å; A212-E215 HydrophobicContact CB-CG 4.29Å; A212-E215 PolarHBondContact N-OE2 3.31Å; A212-E215 VanDerWaalsContact N-OE2 3.17Å; A212-E215 PolarHBondContact O-N 3.39Å; E215-T268 PolarHBondContact OE1-OG1 3.22Å; E215-T268 WeakPolarHBondContact OE2-CA 3.46Å; E215-T268 WeakPolarHBondContact OE2-CB 3.35Å; E215-T268 PolarHBondContact OE2-N 2.75Å; E215-T268 PolarHBondContact OE2-OG1 2.84Å
216	E	96.9	Very high	96.7	Very high	135 Å²	135	44.4 Å²	44.4	63%	0.631	24%	0.236	S	C	*	.			trans	-86.6	152.5	170.6	-62	-176.6	160.6	0	0	110.7	L218 S267	E216-L218 HydrophobicContact CB-CD2 4.41Å; E216-S267 VanDerWaalsContact O-CB 3.26Å; E216-S267 WeakPolarHBondContact O-CB 3.26Å
217	S	96.7	Very high	96.5	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	26%	0.264	C	S	.	.			trans	-93.5	140.8	158.8	-179.3	0	0	0	0	108.7	D189 T190 S210	D189-S217 PolarHBondContact OD1-OG 2.92Å; T190-S217 WeakPolarHBondContact O-CB 3.41Å; S210-S217 PolarHBondContact OG-OG 2.88Å
218	L	97.1	Very high	96.4	Very high	52 Å²	52	47.6 Å²	47.6	27%	0.272	27%	0.267	S	S	.	.			trans	-115.6	140.2	-167.6	-67.4	173.8	0	0	0	112.1	E216 R233 Q266	E216-L218 HydrophobicContact CB-CD2 4.41Å; L218-R233 WeakPolarHBondContact O-CB 3.34Å; L218-R233 WeakPolarHBondContact O-CG 3.48Å; L218-R233 PolarHBondContact O-N 2.89Å; L218-Q266 HydrophobicContact CD1-CB 3.55Å
219	S	97.2	Very high	96.3	Very high	32 Å²	32	52.5 Å²	52.5	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	154.7	175.5	61.8	0	0	0	0	112.2	Y229 D232	S219-Y229 VanDerWaalsContact OG-CD1 3.25Å; S219-Y229 WeakPolarHBondContact OG-CD1 3.47Å; S219-Y229 WeakPolarHBondContact OG-CD2 3.48Å; S219-Y229 WeakPolarHBondContact OG-CE1 3.3Å; S219-Y229 VanDerWaalsContact OG-CG 3.24Å; S219-D232 WeakPolarHBondContact CA-OD1 3.43Å
220	L	96.1	Very high	96.2	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.4	177.4	-170.4	59.6	0	0	0	110.9	S231 R233 Y236 Y237	L220-S231 PolarHBondContact N-O 3.15Å; L220-S231 PolarHBondContact O-N 2.77Å; L220-R233 HydrophobicContact CB-CB 4.46Å; L220-R233 HydrophobicContact CB-CG 3.73Å; L220-R233 HydrophobicContact CD1-CG 4.19Å; L220-R233 HydrophobicContact CD2-CG 4.34Å; L220-R233 HydrophobicContact CG-CG 4.29Å; L220-Y236 HydrophobicContact CD2-CD1 3.39Å; L220-Y236 HydrophobicContact CD2-CD2 4.44Å; L220-Y236 HydrophobicContact CD2-CE1 4.06Å; L220-Y236 HydrophobicContact CD2-CG 3.61Å; L220-Y237 HydrophobicContact CD2-CE2 4.23Å
221	H	93.2	Very high	96.1	Very high	49 Å²	49	52.4 Å²	52.4	23%	0.227	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.3	96	176.7	-61.6	156.6	0	0	0	114.4	P91 Y229 V230 Y236	P91-H221 HydrophobicContact CG-CB 4.15Å; H221-Y229 WeakPolarHBondContact O-CA 3.49Å; H221-V230 HydrophobicContact CB-CG2 3.87Å; H221-V230 WeakPolarHBondContact O-CG2 3.38Å; H221-V230 PolarHBondContact O-N 2.86Å; H221-Y236 AromaticContact CE1-CE1 3.91Å; H221-Y236 AromaticContact CE1-CE2 3.5Å; H221-Y236 AromaticContact CE1-CZ 3.42Å; H221-Y236 VanDerWaalsContact CE1-CZ 3.42Å; H221-Y236 AromaticContact ND1-CE2 3.74Å
222	S	93.9	Very high	96.1	Very high	72 Å²	72	52.7 Å²	52.7	50%	0.503	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.4	164.6	-173.1	0	0	0	0	109.6
223	D	94.6	Very high	96.1	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.6	170.8	-175	-47.6	0	0	0	109.1	P91 R94 E225 I226 G227 T228 V230	P91-D223 WeakPolarHBondContact CA-OD2 3.3Å; P91-D223 HydrophobicContact CB-CB 3.91Å; P91-D223 WeakPolarHBondContact CB-OD2 3.31Å; R94-D223 IonicContact NH2-OD2 3.47Å; R94-D223 PolarHBondContact NH2-OD2 2.92Å; D223-E225 WeakPolarHBondContact OD1-CA 3.44Å; D223-E225 WeakPolarHBondContact OD1-CB 3.44Å; D223-E225 PolarHBondContact OD1-N 3.37Å; D223-I226 HydrophobicContact CB-CB 4.04Å; D223-I226 HydrophobicContact CB-CD1 4.06Å; D223-I226 HydrophobicContact CB-CG1 4.26Å; D223-I226 PolarHBondContact OD1-N 2.97Å; D223-I226 VanDerWaalsContact OD1-N 3.13Å; D223-G227 WeakPolarHBondContact O-CA 3.17Å; D223-G227 PolarHBondContact O-N 3.04Å; D223-T228 PolarHBondContact N-O 3.36Å; D223-V230 HydrophobicContact CB-CG1 3.54Å
224	R	94	Very high	96.1	Very high	243 Å²	243	51.8 Å²	51.8	92%	0.917	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.8	-176.8	-173.3	179.7	178.4	-173.1	0.3	113
225	E	92.6	Very high	96.1	Very high	101 Å²	101	48.7 Å²	48.7	47%	0.472	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-41.8	176.7	-67.3	175.7	-140.7	0	0	110.7	P82 R83 R94 D223	P82-E225 HydrophobicContact CG-CB 4.35Å; R83-E225 IonicContact CZ-OE2 3.33Å; R83-E225 IonicContact NE-OE2 3.13Å; R83-E225 PolarHBondContact NE-OE2 3.16Å; R83-E225 VanDerWaalsContact NE-OE2 3.13Å; R83-E225 IonicContact NH2-OE1 3.46Å; R83-E225 PolarHBondContact NH2-OE1 3.22Å; R83-E225 IonicContact NH2-OE2 2.73Å; R83-E225 PolarHBondContact NH2-OE2 3.38Å; R94-E225 IonicContact CZ-OE1 3.96Å; R94-E225 IonicContact NH1-OE1 2.84Å; R94-E225 PolarHBondContact NH1-OE1 2.77Å; R94-E225 IonicContact NH2-OE1 3.7Å; R94-E225 PolarHBondContact NH2-OE1 2.93Å; R94-E225 IonicContact NH2-OE2 3.01Å; R94-E225 PolarHBondContact NH2-OE2 2.79Å; D223-E225 WeakPolarHBondContact OD1-CA 3.44Å; D223-E225 WeakPolarHBondContact OD1-CB 3.44Å; D223-E225 PolarHBondContact OD1-N 3.37Å
226	I	94	Very high	96.1	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-30	177.8	-64.7	170.2	0	0	0	111.1	W41 Y44 P82 F88 D223 T228 V230	W41-I226 HydrophobicContact CH2-CG2 4.23Å; W41-I226 HydrophobicContact CZ2-CB 4.48Å; W41-I226 HydrophobicContact CZ2-CG2 3.6Å; W41-I226 WeakPolarHBondContact CZ2-O 3.42Å; W41-I226 PolarHBondContact NE1-O 3.42Å; Y44-I226 HydrophobicContact CD1-CG2 4.4Å; Y44-I226 HydrophobicContact CD2-CG2 3.9Å; Y44-I226 HydrophobicContact CE1-CD1 4.16Å; Y44-I226 HydrophobicContact CE2-CD1 4.37Å; Y44-I226 HydrophobicContact CE2-CG2 4.02Å; Y44-I226 HydrophobicContact CG-CG2 4.1Å; P82-I226 HydrophobicContact CG-CG1 4.35Å; F88-I226 HydrophobicContact CD2-CD1 4.36Å; D223-I226 HydrophobicContact CB-CB 4.04Å; D223-I226 HydrophobicContact CB-CD1 4.06Å; D223-I226 HydrophobicContact CB-CG1 4.26Å; D223-I226 PolarHBondContact OD1-N 2.97Å; D223-I226 VanDerWaalsContact OD1-N 3.13Å; I226-T228 HydrophobicContact CG2-CG2 3.93Å; I226-V230 HydrophobicContact CB-CG1 4.42Å; I226-V230 HydrophobicContact CD1-CG1 3.66Å; I226-V230 HydrophobicContact CG2-CG1 4.31Å
227	G	95	Very high	96.1	Very high	60 Å²	60	42.8 Å²	42.8	62%	0.619	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	16.6	175.6	0	0	0	0	0	114.8	D223	D223-G227 WeakPolarHBondContact O-CA 3.17Å; D223-G227 PolarHBondContact O-N 3.04Å
228	T	95.6	Very high	96.2	Very high	18 Å²	18	42 Å²	42	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-179.7	174.4	-172.4	0	0	0	0	110.7	F42 Y44 D223 I226	F42-T228 PolarHBondContact O-OG1 3.4Å; F42-T228 VanDerWaalsContact O-OG1 3.05Å; Y44-T228 HydrophobicContact CG-CG2 4.41Å; D223-T228 PolarHBondContact N-O 3.36Å; I226-T228 HydrophobicContact CG2-CG2 3.93Å
229	Y	96.8	Very high	96.2	Very high	106 Å²	106	40.2 Å²	40.2	42%	0.416	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.1	169.6	-68.4	-86.3	0	0	0	111.4	R45 S219 H221	R45-Y229 PolarHBondContact N-O 3.5Å; S219-Y229 VanDerWaalsContact OG-CD1 3.25Å; S219-Y229 WeakPolarHBondContact OG-CD1 3.47Å; S219-Y229 WeakPolarHBondContact OG-CD2 3.48Å; S219-Y229 WeakPolarHBondContact OG-CE1 3.3Å; S219-Y229 VanDerWaalsContact OG-CG 3.24Å; H221-Y229 WeakPolarHBondContact O-CA 3.49Å
230	V	96.8	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-6.3	-173.4	-58.4	0	0	0	0	114.6	Y44 S48 F88 H221 D223 I226	Y44-V230 HydrophobicContact CD1-CB 4.18Å; Y44-V230 HydrophobicContact CD1-CG1 4.13Å; Y44-V230 HydrophobicContact CE1-CB 4.03Å; Y44-V230 HydrophobicContact CE1-CG1 3.99Å; S48-V230 WeakPolarHBondContact CB-O 3.35Å; S48-V230 PolarHBondContact OG-O 3.1Å; F88-V230 WeakPolarHBondContact O-CB 3.4Å; H221-V230 HydrophobicContact CB-CG2 3.87Å; H221-V230 WeakPolarHBondContact O-CG2 3.38Å; H221-V230 PolarHBondContact O-N 2.86Å; D223-V230 HydrophobicContact CB-CG1 3.54Å; I226-V230 HydrophobicContact CB-CG1 4.42Å; I226-V230 HydrophobicContact CD1-CG1 3.66Å; I226-V230 HydrophobicContact CG2-CG1 4.31Å
231	S	97.3	Very high	96.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	167.2	172.4	-163.4	0	0	0	0	110.3	N49 L220	N49-S231 WeakPolarHBondContact OD1-CA 3.41Å; N49-S231 PolarHBondContact OD1-OG 3.38Å; L220-S231 PolarHBondContact N-O 3.15Å; L220-S231 PolarHBondContact O-N 2.77Å
232	D	98.2	Very high	96.5	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	151.3	161.9	-65.3	-65.1	0	0	0	110.7	R45 H46 N49 D189 S219 Y234 S235 Y236	R45-D232 WeakPolarHBondContact CD-OD1 3.44Å; R45-D232 WeakPolarHBondContact CG-OD2 3.47Å; R45-D232 IonicContact NE-OD1 2.69Å; R45-D232 PolarHBondContact NE-OD1 3.09Å; R45-D232 VanDerWaalsContact NE-OD1 3.09Å; R45-D232 IonicContact NE-OD2 2.87Å; H46-D232 IonicContact CD2-OD2 2.79Å; H46-D232 PolarHBondContact CD2-OD2 3.14Å; H46-D232 IonicContact NE2-OD2 3.74Å; N49-D232 PolarHBondContact ND2-OD2 3.22Å; N49-D232 PolarHBondContact OD1-N 2.94Å; D189-D232 WeakPolarHBondContact OD2-CB 3.45Å; S219-D232 WeakPolarHBondContact CA-OD1 3.43Å; D232-Y234 PolarHBondContact O-N 2.87Å; D232-S235 PolarHBondContact O-N 2.97Å; D232-Y236 WeakPolarHBondContact O-CB 3.03Å; D232-Y236 PolarHBondContact O-N 3.08Å
233	R	98.1	Very high	96.5	Very high	45 Å²	45	40.3 Å²	40.3	17%	0.17	19%	0.187	C	C	.	.	H	α-helix	trans	-55.6	-53.2	-172.2	-76	179.2	172	-80.6	-0.9	111.9	L218 L220 S235 Y236 Y237 L264 C265	L218-R233 WeakPolarHBondContact O-CB 3.34Å; L218-R233 WeakPolarHBondContact O-CG 3.48Å; L218-R233 PolarHBondContact O-N 2.89Å; L220-R233 HydrophobicContact CB-CB 4.46Å; L220-R233 HydrophobicContact CB-CG 3.73Å; L220-R233 HydrophobicContact CD1-CG 4.19Å; L220-R233 HydrophobicContact CD2-CG 4.34Å; L220-R233 HydrophobicContact CG-CG 4.29Å; R233-S235 PolarHBondContact O-N 2.9Å; R233-Y236 PolarHBondContact O-N 2.98Å; R233-Y237 WeakPolarHBondContact O-CD2 3.4Å; R233-Y237 PolarHBondContact O-N 3.26Å; R233-Y237 VanDerWaalsContact O-N 3.09Å; R233-L264 WeakPolarHBondContact CD-O 3.39Å; R233-L264 PolarHBondContact NH1-O 2.89Å; R233-C265 WeakPolarHBondContact CD-O 3.14Å
234	Y	98.5	Very high	96.6	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-50.8	-179.4	172.1	-94.8	0	0	0	111.1	I187 D189 I208 S210 D232 Y236 Y237 A238 L259 C260 C265 V269	I187-Y234 HydrophobicContact CG2-CE1 3.61Å; I187-Y234 VanDerWaalsContact CG2-OH 3.27Å; I187-Y234 WeakPolarHBondContact CG2-OH 3.32Å; D189-Y234 HydrophobicContact CB-CD1 4Å; I208-Y234 HydrophobicContact CG2-CE2 4.33Å; I208-Y234 WeakPolarHBondContact CG2-OH 3.16Å; S210-Y234 VanDerWaalsContact CB-CG 3.49Å; D232-Y234 PolarHBondContact O-N 2.87Å; Y234-Y236 VanDerWaalsContact C-N 3.34Å; Y234-Y236 PolarHBondContact O-N 2.88Å; Y234-Y237 PolarHBondContact O-N 3.05Å; Y234-A238 HydrophobicContact CE1-CB 4.43Å; Y234-A238 WeakPolarHBondContact O-CB 3.37Å; Y234-A238 PolarHBondContact O-N 3.35Å; Y234-L259 HydrophobicContact CE2-CD1 4.43Å; Y234-C260 HydrophobicContact CD2-CB 4.24Å; Y234-C265 VanDerWaalsContact CA-SG 3.55Å; Y234-V269 HydrophobicContact CD2-CG1 4.44Å; Y234-V269 HydrophobicContact CD2-CG2 3.74Å; Y234-V269 HydrophobicContact CE2-CG1 3.98Å; Y234-V269 HydrophobicContact CE2-CG2 4.1Å
235	S	98.2	Very high	96.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-38.8	179.9	-66.5	0	0	0	0	113.7	N49 Y145 D189 D232 R233 A238 F239	N49-S235 WeakPolarHBondContact OD1-CB 3.39Å; Y145-S235 PolarHBondContact OH-OG 3.31Å; D189-S235 WeakPolarHBondContact OD2-CB 3.46Å; D189-S235 PolarHBondContact OD2-N 3.16Å; D189-S235 VanDerWaalsContact OD2-N 3.17Å; D189-S235 PolarHBondContact OD2-OG 2.99Å; D232-S235 PolarHBondContact O-N 2.97Å; R233-S235 PolarHBondContact O-N 2.9Å; S235-A238 PolarHBondContact O-N 3.27Å; S235-F239 WeakPolarHBondContact O-CB 3.38Å; S235-F239 PolarHBondContact O-N 2.89Å
236	Y	97.4	Very high	96.9	Very high	24 Å²	24	30.2 Å²	30.2	9%	0.094	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-48.8	174.6	177.8	-98.7	0	0	0	112	N90 L220 H221 D232 R233 Y234 A238 F239 Q240	N90-Y236 HydrophobicContact CB-CE2 4.27Å; N90-Y236 PolarHBondContact ND2-OH 3.06Å; L220-Y236 HydrophobicContact CD2-CD1 3.39Å; L220-Y236 HydrophobicContact CD2-CD2 4.44Å; L220-Y236 HydrophobicContact CD2-CE1 4.06Å; L220-Y236 HydrophobicContact CD2-CG 3.61Å; H221-Y236 AromaticContact CE1-CE1 3.91Å; H221-Y236 AromaticContact CE1-CE2 3.5Å; H221-Y236 AromaticContact CE1-CZ 3.42Å; H221-Y236 VanDerWaalsContact CE1-CZ 3.42Å; H221-Y236 AromaticContact ND1-CE2 3.74Å; D232-Y236 WeakPolarHBondContact O-CB 3.03Å; D232-Y236 PolarHBondContact O-N 3.08Å; R233-Y236 PolarHBondContact O-N 2.98Å; Y234-Y236 VanDerWaalsContact C-N 3.34Å; Y234-Y236 PolarHBondContact O-N 2.88Å; Y236-A238 VanDerWaalsContact C-N 3.32Å; Y236-A238 PolarHBondContact O-N 3.05Å; Y236-F239 WeakPolarHBondContact O-CB 3.41Å; Y236-F239 PolarHBondContact O-N 3.04Å; Y236-Q240 HydrophobicContact CD1-CG 4.38Å; Y236-Q240 HydrophobicContact CE1-CG 3.97Å; Y236-Q240 WeakPolarHBondContact O-CG 3.24Å; Y236-Q240 PolarHBondContact O-N 2.92Å; Y236-Q240 PolarHBondContact OH-NE2 2.96Å
237	Y	97.8	Very high	96.9	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.161	18%	0.183	C	C	.	.	H	α-helix	trans	-70.2	-31	178.4	-68.8	-65.5	0	0	0	111.9	L220 R233 Y234 F239 Q240 F241 L259 C260 L264	L220-Y237 HydrophobicContact CD2-CE2 4.23Å; R233-Y237 WeakPolarHBondContact O-CD2 3.4Å; R233-Y237 PolarHBondContact O-N 3.26Å; R233-Y237 VanDerWaalsContact O-N 3.09Å; Y234-Y237 PolarHBondContact O-N 3.05Å; Y237-F239 VanDerWaalsContact C-N 3.35Å; Y237-Q240 PolarHBondContact O-N 3.39Å; Y237-F241 WeakPolarHBondContact O-CB 3.45Å; Y237-F241 PolarHBondContact O-N 2.82Å; Y237-L259 VanDerWaalsContact C-CD1 3.45Å; Y237-C260 WeakPolarHBondContact CD2-SG 3.29Å; Y237-L264 HydrophobicContact CD1-CD1 4.04Å; Y237-L264 HydrophobicContact CD2-CB 4.04Å; Y237-L264 HydrophobicContact CE1-CB 4.42Å; Y237-L264 HydrophobicContact CE1-CD1 3.86Å; Y237-L264 HydrophobicContact CE1-CD2 4.36Å; Y237-L264 HydrophobicContact CE1-CG 4.45Å; Y237-L264 HydrophobicContact CE2-CB 3.63Å; Y237-L264 HydrophobicContact CE2-CD1 4.5Å; Y237-L264 HydrophobicContact CE2-CG 4.47Å; Y237-L264 HydrophobicContact CG-CD1 4.44Å
238	A	98.3	Very high	96.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-43.3	173.9	0	0	0	0	0	110.7	I53 Y234 S235 Y236 F241 L242 F256 L259	I53-A238 HydrophobicContact CD1-CB 4.43Å; Y234-A238 HydrophobicContact CE1-CB 4.43Å; Y234-A238 WeakPolarHBondContact O-CB 3.37Å; Y234-A238 PolarHBondContact O-N 3.35Å; S235-A238 PolarHBondContact O-N 3.27Å; Y236-A238 VanDerWaalsContact C-N 3.32Å; Y236-A238 PolarHBondContact O-N 3.05Å; A238-F241 PolarHBondContact O-N 3.45Å; A238-L242 WeakPolarHBondContact O-CB 3.2Å; A238-L242 VanDerWaalsContact O-CG 3.28Å; A238-L242 WeakPolarHBondContact O-CG 3.33Å; A238-L242 PolarHBondContact O-N 2.82Å; A238-F256 HydrophobicContact CB-CZ 4.28Å; A238-L259 HydrophobicContact CB-CD1 4.11Å; A238-L259 HydrophobicContact CB-CD2 3.87Å; A238-L259 VanDerWaalsContact N-CD1 3.33Å
239	F	97.1	Very high	96.8	Very high	14 Å²	14	34.9 Å²	34.9	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-49.2	171.7	177.1	-112.4	0	0	0	112	S52 N89 L97 S235 Y236 Y237 F241 L242 E243	S52-F239 WeakPolarHBondContact O-CD2 3.39Å; N89-F239 WeakPolarHBondContact ND2-CD1 3.35Å; N89-F239 VanDerWaalsContact ND2-CE1 3.26Å; N89-F239 WeakPolarHBondContact ND2-CE1 3.25Å; L97-F239 HydrophobicContact CD2-CE2 4.45Å; L97-F239 HydrophobicContact CD2-CZ 4.34Å; S235-F239 WeakPolarHBondContact O-CB 3.38Å; S235-F239 PolarHBondContact O-N 2.89Å; Y236-F239 WeakPolarHBondContact O-CB 3.41Å; Y236-F239 PolarHBondContact O-N 3.04Å; Y237-F239 VanDerWaalsContact C-N 3.35Å; F239-F241 VanDerWaalsContact C-N 3.32Å; F239-F241 PolarHBondContact O-N 2.77Å; F239-L242 PolarHBondContact O-N 3.33Å; F239-L242 VanDerWaalsContact O-N 3.13Å; F239-E243 HydrophobicContact CD1-CG 4.37Å; F239-E243 HydrophobicContact CD2-CG 4.16Å; F239-E243 HydrophobicContact CE1-CG 3.97Å; F239-E243 HydrophobicContact CE2-CG 3.72Å; F239-E243 HydrophobicContact CG-CG 4.47Å; F239-E243 HydrophobicContact CZ-CG 3.62Å; F239-E243 WeakPolarHBondContact O-CG 3.08Å; F239-E243 PolarHBondContact O-N 2.79Å
240	Q	96	Very high	96.8	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-43.1	177.3	-72.5	-167.7	-26.8	0	0	112.8	Y236 Y237 E243 S244	Y236-Q240 HydrophobicContact CD1-CG 4.38Å; Y236-Q240 HydrophobicContact CE1-CG 3.97Å; Y236-Q240 WeakPolarHBondContact O-CG 3.24Å; Y236-Q240 PolarHBondContact O-N 2.92Å; Y236-Q240 PolarHBondContact OH-NE2 2.96Å; Y237-Q240 PolarHBondContact O-N 3.39Å; Q240-E243 PolarHBondContact O-N 2.78Å; Q240-S244 PolarHBondContact O-N 3.1Å
241	F	98	Very high	96.9	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-51.6	174.6	179.4	-73.6	0	0	0	109.8	Y237 A238 F239 E243 S244 V245 R251 D255 F256 L259 V285	Y237-F241 WeakPolarHBondContact O-CB 3.45Å; Y237-F241 PolarHBondContact O-N 2.82Å; A238-F241 PolarHBondContact O-N 3.45Å; F239-F241 VanDerWaalsContact C-N 3.32Å; F239-F241 PolarHBondContact O-N 2.77Å; F241-E243 VanDerWaalsContact C-N 3.32Å; F241-E243 PolarHBondContact O-N 3.11Å; F241-S244 WeakPolarHBondContact O-CB 3.09Å; F241-S244 PolarHBondContact O-N 3.13Å; F241-S244 PolarHBondContact O-OG 3.24Å; F241-V245 HydrophobicContact CD1-CG2 3.95Å; F241-V245 HydrophobicContact CE1-CG2 3.66Å; F241-R251 HydrophobicContact CE1-CB 4.43Å; F241-R251 HydrophobicContact CZ-CB 4.02Å; F241-R251 HydrophobicContact CZ-CG 4.46Å; F241-D255 VanDerWaalsContact CE2-C 3.5Å; F241-D255 HydrophobicContact CE2-CB 3.98Å; F241-D255 VanDerWaalsContact CE2-O 3.31Å; F241-D255 WeakPolarHBondContact CE2-O 3.21Å; F241-D255 HydrophobicContact CZ-CB 4Å; F241-F256 AromaticContact CD1-CD2 3.61Å; F241-F256 HydrophobicContact CD1-CD2 3.61Å; F241-F256 HydrophobicContact CD1-CE2 4.24Å; F241-F256 HydrophobicContact CE1-CB 4.15Å; F241-F256 AromaticContact CE1-CD2 3.69Å; F241-F256 HydrophobicContact CE1-CD2 3.69Å; F241-F256 HydrophobicContact CE1-CG 4.42Å; F241-F256 HydrophobicContact CE2-CB 4.39Å; F241-F256 HydrophobicContact CG-CD2 4.19Å; F241-F256 HydrophobicContact CZ-CB 3.93Å; F241-F256 HydrophobicContact CZ-CD2 4.26Å; F241-L259 HydrophobicContact CB-CB 4.14Å; F241-L259 HydrophobicContact CB-CD2 4.45Å; F241-L259 HydrophobicContact CD2-CB 3.71Å; F241-L259 HydrophobicContact CE2-CB 4.44Å; F241-L259 HydrophobicContact CG-CB 4.17Å; F241-V285 HydrophobicContact CE1-CG1 4.32Å; F241-V285 HydrophobicContact CE1-CG2 3.93Å; F241-V285 HydrophobicContact CZ-CG2 4.11Å
242	L	97.8	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-36.8	-176.6	-70.8	170.2	0	0	0	111.7	I53 R59 A238 F239 S244 V245 F256 V285 F289	I53-L242 HydrophobicContact CD1-CD1 3.89Å; R59-L242 PolarHBondContact NH2-O 2.93Å; A238-L242 WeakPolarHBondContact O-CB 3.2Å; A238-L242 VanDerWaalsContact O-CG 3.28Å; A238-L242 WeakPolarHBondContact O-CG 3.33Å; A238-L242 PolarHBondContact O-N 2.82Å; F239-L242 PolarHBondContact O-N 3.33Å; F239-L242 VanDerWaalsContact O-N 3.13Å; L242-S244 PolarHBondContact O-N 3.29Å; L242-V245 WeakPolarHBondContact O-CA 3.37Å; L242-V245 VanDerWaalsContact O-CB 3.27Å; L242-V245 WeakPolarHBondContact O-CB 3.43Å; L242-V245 PolarHBondContact O-N 2.78Å; L242-F256 HydrophobicContact CD1-CE2 4.37Å; L242-F256 HydrophobicContact CD2-CD2 4.46Å; L242-F256 HydrophobicContact CD2-CE2 4.09Å; L242-F256 HydrophobicContact CG-CE2 4.08Å; L242-V285 HydrophobicContact CD2-CG1 3.94Å; L242-F289 HydrophobicContact CD1-CD1 3.8Å; L242-F289 HydrophobicContact CD1-CE1 3.67Å; L242-F289 HydrophobicContact CD2-CB 4.25Å; L242-F289 HydrophobicContact CD2-CD1 3.66Å; L242-F289 HydrophobicContact CD2-CD2 4.31Å; L242-F289 HydrophobicContact CD2-CE1 4.02Å; L242-F289 HydrophobicContact CD2-CG 3.83Å; L242-F289 HydrophobicContact CD2-CZ 4.47Å; L242-F289 HydrophobicContact CG-CD1 4.41Å; L242-F289 HydrophobicContact CG-CE1 4.47Å
243	E	95.4	Very high	96.9	Very high	70 Å²	70	43.2 Å²	43.2	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-26.5	174.4	-71.4	-60.9	86.1	0	0	113.3	R59 F239 Q240 F241 V245	R59-E243 IonicContact CZ-OE1 2.89Å; R59-E243 IonicContact NE-OE1 3.09Å; R59-E243 PolarHBondContact NE-OE1 2.93Å; R59-E243 IonicContact NH2-OE1 2.75Å; R59-E243 PolarHBondContact NH2-OE1 3.09Å; F239-E243 HydrophobicContact CD1-CG 4.37Å; F239-E243 HydrophobicContact CD2-CG 4.16Å; F239-E243 HydrophobicContact CE1-CG 3.97Å; F239-E243 HydrophobicContact CE2-CG 3.72Å; F239-E243 HydrophobicContact CG-CG 4.47Å; F239-E243 HydrophobicContact CZ-CG 3.62Å; F239-E243 WeakPolarHBondContact O-CG 3.08Å; F239-E243 PolarHBondContact O-N 2.79Å; Q240-E243 PolarHBondContact O-N 2.78Å; F241-E243 VanDerWaalsContact C-N 3.32Å; F241-E243 PolarHBondContact O-N 3.11Å; E243-V245 VanDerWaalsContact C-N 3.34Å
244	S	96.1	Very high	96.9	Very high	70 Å²	70	46.1 Å²	46.1	49%	0.49	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.4	171.9	79.7	0	0	0	0	114.3	Q240 F241 L242	Q240-S244 PolarHBondContact O-N 3.1Å; F241-S244 WeakPolarHBondContact O-CB 3.09Å; F241-S244 PolarHBondContact O-N 3.13Å; F241-S244 PolarHBondContact O-OG 3.24Å; L242-S244 PolarHBondContact O-N 3.29Å
245	V	97.5	Very high	96.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.			trans	-85.8	132.3	-179.2	178.4	0	0	0	0	110.4	R59 L60 F241 L242 E243 T286	R59-V245 PolarHBondContact NH1-O 3.19Å; R59-V245 PolarHBondContact NH2-O 3.01Å; L60-V245 HydrophobicContact CD1-CG1 4.22Å; L60-V245 HydrophobicContact CD2-CG1 4.05Å; F241-V245 HydrophobicContact CD1-CG2 3.95Å; F241-V245 HydrophobicContact CE1-CG2 3.66Å; L242-V245 WeakPolarHBondContact O-CA 3.37Å; L242-V245 VanDerWaalsContact O-CB 3.27Å; L242-V245 WeakPolarHBondContact O-CB 3.43Å; L242-V245 PolarHBondContact O-N 2.78Å; E243-V245 VanDerWaalsContact C-N 3.34Å; V245-T286 HydrophobicContact CG1-CG2 4.04Å
246	T	96.1	Very high	96.9	Very high	66 Å²	66	48.7 Å²	48.7	41%	0.405	25%	0.248	S	C	.	.			trans	-109.2	165.1	168.6	67	0	0	0	0	110.3	S248 S249	T246-S248 PolarHBondContact O-N 3.26Å; T246-S248 VanDerWaalsContact O-N 3.08Å; T246-S248 PolarHBondContact OG1-OG 2.92Å; T246-S249 WeakPolarHBondContact O-CB 3.38Å; T246-S249 PolarHBondContact O-N 2.94Å; T246-S249 PolarHBondContact OG1-N 3.11Å
247	P	93	Very high	96.9	Very high	72 Å²	72	47.8 Å²	47.8	47%	0.468	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.6	176.4	-27.9	36.5	0	0	0	115.1	L60	L60-P247 HydrophobicContact CD2-CG 4.47Å
248	S	93.3	Very high	96.9	Very high	94 Å²	94	51.1 Å²	51.1	66%	0.657	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	2.5	176.9	56.2	0	0	0	0	113.9	T246	T246-S248 PolarHBondContact O-N 3.26Å; T246-S248 VanDerWaalsContact O-N 3.08Å; T246-S248 PolarHBondContact OG1-OG 2.92Å
249	S	95.8	Very high	96.8	Very high	18 Å²	18	52 Å²	52	13%	0.126	27%	0.267	C	S	.	.			trans	-56.3	143.9	-177.1	-176	0	0	0	0	112.3	T246 R251	T246-S249 WeakPolarHBondContact O-CB 3.38Å; T246-S249 PolarHBondContact O-N 2.94Å; T246-S249 PolarHBondContact OG1-N 3.11Å; S249-R251 WeakPolarHBondContact OG-CB 3.33Å; S249-R251 WeakPolarHBondContact OG-CG 3.43Å; S249-R251 PolarHBondContact OG-N 2.92Å
250	K	96.8	Very high	96.8	Very high	163 Å²	163	51.5 Å²	51.5	71%	0.709	27%	0.265	S	S	*	.			trans	-102.2	7.4	174.1	-59.2	-58.2	-176.8	-177.3	0	113	T252	K250-T252 PolarHBondContact O-N 2.85Å
251	R	97.7	Very high	96.9	Very high	104 Å²	104	50.3 Å²	50.3	39%	0.392	27%	0.265	S	S	.	.			trans	-61.6	136	175.1	-65.3	-72.1	-79.9	-111.4	-0.2	109.6	F241 S249 D255 V285	F241-R251 HydrophobicContact CE1-CB 4.43Å; F241-R251 HydrophobicContact CZ-CB 4.02Å; F241-R251 HydrophobicContact CZ-CG 4.46Å; S249-R251 WeakPolarHBondContact OG-CB 3.33Å; S249-R251 WeakPolarHBondContact OG-CG 3.43Å; S249-R251 PolarHBondContact OG-N 2.92Å; R251-D255 WeakPolarHBondContact CA-OD2 3.32Å; R251-V285 HydrophobicContact CB-CG2 4.34Å; R251-V285 WeakPolarHBondContact O-CG2 3.42Å; R251-V285 PolarHBondContact O-N 2.93Å
252	T	98.3	Very high	96.9	Very high	18 Å²	18	55.5 Å²	55.5	11%	0.11	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-101.6	163.5	-171.3	64.9	0	0	0	0	111.2	K250 Y254 D255 F256 R281 V283 V285	K250-T252 PolarHBondContact O-N 2.85Å; T252-Y254 PolarHBondContact O-N 3.38Å; T252-Y254 PolarHBondContact OG1-N 3.44Å; T252-D255 PolarHBondContact N-OD2 3.28Å; T252-D255 WeakPolarHBondContact O-CB 3.38Å; T252-D255 PolarHBondContact O-N 3.14Å; T252-D255 VanDerWaalsContact O-N 3.08Å; T252-D255 PolarHBondContact OG1-N 3.49Å; T252-D255 VanDerWaalsContact OG1-N 3.1Å; T252-D255 PolarHBondContact OG1-OD2 3.47Å; T252-F256 PolarHBondContact O-N 3.01Å; T252-R281 VanDerWaalsContact CG2-O 3.22Å; T252-R281 WeakPolarHBondContact CG2-O 3.48Å; T252-V283 CarbonylContact C-O 3.54Å; T252-V283 WeakPolarHBondContact CA-O 3.42Å; T252-V283 WeakPolarHBondContact CB-O 3.25Å; T252-V285 VanDerWaalsContact C-CG2 3.48Å; T252-V285 WeakPolarHBondContact O-CG2 3.42Å
253	L	97.9	Very high	96.9	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-28.4	170.6	-74.3	-171.2	0	0	0	111.8	L185 F256 S257 I280 V283 V285 F288	L185-L253 HydrophobicContact CD2-CD2 3.87Å; L253-F256 PolarHBondContact O-N 2.81Å; L253-S257 WeakPolarHBondContact O-CB 3.35Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-I280 HydrophobicContact CB-CB 4.04Å; L253-I280 PolarHBondContact N-O 3.11Å; L253-V283 HydrophobicContact CB-CB 4.47Å; L253-V283 HydrophobicContact CD1-CB 4.08Å; L253-V283 HydrophobicContact CD1-CG1 3.57Å; L253-V283 HydrophobicContact CG-CB 4.19Å; L253-V283 HydrophobicContact CG-CG1 3.87Å; L253-V283 PolarHBondContact N-O 3.27Å; L253-V285 HydrophobicContact CD2-CG2 4.45Å; L253-F288 HydrophobicContact CD1-CD2 3.95Å; L253-F288 HydrophobicContact CD1-CE2 3.66Å; L253-F288 HydrophobicContact CD2-CD2 4.19Å; L253-F288 HydrophobicContact CG-CD2 4.45Å
254	Y	98.3	Very high	97	Very high	106 Å²	106	59.5 Å²	59.5	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-48.2	169.2	-176.3	-97.4	0	0	0	111.6	T252 F256 S257 Q258 I280 R281	T252-Y254 PolarHBondContact O-N 3.38Å; T252-Y254 PolarHBondContact OG1-N 3.44Å; Y254-F256 PolarHBondContact O-N 3.26Å; Y254-S257 PolarHBondContact O-N 2.7Å; Y254-S257 VanDerWaalsContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 3.42Å; Y254-Q258 HydrophobicContact CE1-CG 4.13Å; Y254-Q258 HydrophobicContact CE2-CG 4.5Å; Y254-Q258 WeakPolarHBondContact O-CG 3Å; Y254-Q258 PolarHBondContact O-N 2.74Å; Y254-I280 HydrophobicContact CD2-CD1 4.29Å; Y254-I280 PolarHBondContact N-O 3.2Å; Y254-I280 VanDerWaalsContact N-O 3.14Å; Y254-R281 HydrophobicContact CD1-CG 4.32Å; Y254-R281 HydrophobicContact CD2-CG 3.83Å; Y254-R281 HydrophobicContact CG-CG 3.69Å
255	D	98.2	Very high	97	Very high	58 Å²	58	56.2 Å²	56.2	31%	0.31	30%	0.296	S	S	.	.	H	α-helix	trans	-58.1	-39.8	176.3	-57.8	-44.9	0	0	0	111.5	F241 R251 T252 Q258 L259	F241-D255 VanDerWaalsContact CE2-C 3.5Å; F241-D255 HydrophobicContact CE2-CB 3.98Å; F241-D255 VanDerWaalsContact CE2-O 3.31Å; F241-D255 WeakPolarHBondContact CE2-O 3.21Å; F241-D255 HydrophobicContact CZ-CB 4Å; R251-D255 WeakPolarHBondContact CA-OD2 3.32Å; T252-D255 PolarHBondContact N-OD2 3.28Å; T252-D255 WeakPolarHBondContact O-CB 3.38Å; T252-D255 PolarHBondContact O-N 3.14Å; T252-D255 VanDerWaalsContact O-N 3.08Å; T252-D255 PolarHBondContact OG1-N 3.49Å; T252-D255 VanDerWaalsContact OG1-N 3.1Å; T252-D255 PolarHBondContact OG1-OD2 3.47Å; D255-Q258 PolarHBondContact O-N 2.96Å; D255-L259 PolarHBondContact O-N 2.98Å
256	F	98.4	Very high	97	Very high	1 Å²	1	61 Å²	61	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-44.1	175.8	-173	-89.1	0	0	0	111.4	I187 I208 A238 F241 L242 T252 L253 Y254 Q258 L259 V285 F289	I187-F256 HydrophobicContact CD1-CE1 3.58Å; I187-F256 HydrophobicContact CD1-CZ 3.9Å; I208-F256 HydrophobicContact CD1-CD1 3.83Å; I208-F256 HydrophobicContact CD1-CE1 4.08Å; A238-F256 HydrophobicContact CB-CZ 4.28Å; F241-F256 AromaticContact CD1-CD2 3.61Å; F241-F256 HydrophobicContact CD1-CD2 3.61Å; F241-F256 HydrophobicContact CD1-CE2 4.24Å; F241-F256 HydrophobicContact CE1-CB 4.15Å; F241-F256 AromaticContact CE1-CD2 3.69Å; F241-F256 HydrophobicContact CE1-CD2 3.69Å; F241-F256 HydrophobicContact CE1-CG 4.42Å; F241-F256 HydrophobicContact CE2-CB 4.39Å; F241-F256 HydrophobicContact CG-CD2 4.19Å; F241-F256 HydrophobicContact CZ-CB 3.93Å; F241-F256 HydrophobicContact CZ-CD2 4.26Å; L242-F256 HydrophobicContact CD1-CE2 4.37Å; L242-F256 HydrophobicContact CD2-CD2 4.46Å; L242-F256 HydrophobicContact CD2-CE2 4.09Å; L242-F256 HydrophobicContact CG-CE2 4.08Å; T252-F256 PolarHBondContact O-N 3.01Å; L253-F256 PolarHBondContact O-N 2.81Å; Y254-F256 PolarHBondContact O-N 3.26Å; F256-Q258 PolarHBondContact O-N 2.98Å; F256-L259 HydrophobicContact CD1-CD2 3.93Å; F256-L259 HydrophobicContact CD2-CD2 3.67Å; F256-L259 HydrophobicContact CE1-CD2 3.76Å; F256-L259 HydrophobicContact CE2-CD2 3.5Å; F256-L259 HydrophobicContact CG-CD2 3.88Å; F256-L259 HydrophobicContact CZ-CD2 3.55Å; F256-L259 WeakPolarHBondContact O-CB 3.4Å; F256-L259 WeakPolarHBondContact O-CD2 3.24Å; F256-L259 WeakPolarHBondContact O-CG 3.38Å; F256-L259 PolarHBondContact O-N 2.94Å; F256-V285 HydrophobicContact CB-CG2 3.85Å; F256-V285 HydrophobicContact CD2-CG1 4.43Å; F256-F289 HydrophobicContact CE1-CZ 4.26Å; F256-F289 HydrophobicContact CE2-CE2 4.27Å; F256-F289 AromaticContact CE2-CZ 3.93Å; F256-F289 HydrophobicContact CE2-CZ 3.93Å; F256-F289 HydrophobicContact CZ-CE2 4.28Å; F256-F289 AromaticContact CZ-CZ 3.71Å; F256-F289 HydrophobicContact CZ-CZ 3.71Å
257	S	97.3	Very high	97.1	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-24.2	177.5	74.7	0	0	0	0	113.9	L253 Y254 T271	L253-S257 WeakPolarHBondContact O-CB 3.35Å; L253-S257 PolarHBondContact O-N 3.29Å; Y254-S257 PolarHBondContact O-N 2.7Å; Y254-S257 VanDerWaalsContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 3.42Å; S257-T271 VanDerWaalsContact CB-OG1 3.31Å; S257-T271 WeakPolarHBondContact CB-OG1 3.38Å
258	Q	97.1	Very high	97.4	Very high	110 Å²	110	56.9 Å²	56.9	51%	0.514	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	9.6	180	-55.9	-54.3	-63.5	0	0	113	Y254 D255 F256 C260	Y254-Q258 HydrophobicContact CE1-CG 4.13Å; Y254-Q258 HydrophobicContact CE2-CG 4.5Å; Y254-Q258 WeakPolarHBondContact O-CG 3Å; Y254-Q258 PolarHBondContact O-N 2.74Å; D255-Q258 PolarHBondContact O-N 2.96Å; F256-Q258 PolarHBondContact O-N 2.98Å; Q258-C260 PolarHBondContact O-N 2.98Å
259	L	97	Very high	97.6	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.105	27%	0.268	C	S	.	.	S	Bend	trans	-62.6	-27.6	-172.5	72.5	86.6	0	0	0	113.4	Y234 Y237 A238 F241 D255 F256	Y234-L259 HydrophobicContact CE2-CD1 4.43Å; Y237-L259 VanDerWaalsContact C-CD1 3.45Å; A238-L259 HydrophobicContact CB-CD1 4.11Å; A238-L259 HydrophobicContact CB-CD2 3.87Å; A238-L259 VanDerWaalsContact N-CD1 3.33Å; F241-L259 HydrophobicContact CB-CB 4.14Å; F241-L259 HydrophobicContact CB-CD2 4.45Å; F241-L259 HydrophobicContact CD2-CB 3.71Å; F241-L259 HydrophobicContact CE2-CB 4.44Å; F241-L259 HydrophobicContact CG-CB 4.17Å; D255-L259 PolarHBondContact O-N 2.98Å; F256-L259 HydrophobicContact CD1-CD2 3.93Å; F256-L259 HydrophobicContact CD2-CD2 3.67Å; F256-L259 HydrophobicContact CE1-CD2 3.76Å; F256-L259 HydrophobicContact CE2-CD2 3.5Å; F256-L259 HydrophobicContact CG-CD2 3.88Å; F256-L259 HydrophobicContact CZ-CD2 3.55Å; F256-L259 WeakPolarHBondContact O-CB 3.4Å; F256-L259 WeakPolarHBondContact O-CD2 3.24Å; F256-L259 WeakPolarHBondContact O-CG 3.38Å; F256-L259 PolarHBondContact O-N 2.94Å
260	C	97.1	Very high	97.7	Very high	3 Å²	3	55 Å²	55	2%	0.02	27%	0.273	C	S	.	.	S	Bend	trans	-129.3	81.5	-176.3	-155.8	0	0	0	0	111	Y234 Y237 Q258 C265 V269	Y234-C260 HydrophobicContact CD2-CB 4.24Å; Y237-C260 WeakPolarHBondContact CD2-SG 3.29Å; Q258-C260 PolarHBondContact O-N 2.98Å; C260-C265 HydrophobicContact CB-CB 4.07Å; C260-C265 WeakPolarHBondContact CB-SG 3.3Å; C260-C265 WeakPolarHBondContact SG-CA 3.22Å; C260-C265 WeakPolarHBondContact SG-CB 3.28Å; C260-C265 PolarHBondContact SG-N 2.78Å; C260-C265 VanDerWaalsContact SG-N 3.4Å; C260-C265 CovalentContact SG-SG 2.01Å; C260-C265 PolarHBondContact SG-SG 2.9Å; C260-V269 HydrophobicContact CB-CG2 4.04Å; C260-V269 WeakPolarHBondContact O-CG2 2.92Å
261	P	97.6	Very high	97.8	Very high	63 Å²	63	49.1 Å²	49.1	41%	0.409	25%	0.251	S	S	.	.			trans	-60.8	161.5	171.3	27.3	-36.3	0	0	0	111.2	S263 L264 C265	P261-S263 PolarHBondContact O-N 2.93Å; P261-L264 HydrophobicContact CG-CB 4.45Å; P261-L264 HydrophobicContact CG-CD1 4.14Å; P261-L264 HydrophobicContact CG-CG 4.04Å; P261-L264 PolarHBondContact O-N 2.69Å; P261-C265 PolarHBondContact O-N 3.29Å
262	F	97.7	Very high	97.8	Very high	122 Å²	122	47.2 Å²	47.2	54%	0.535	24%	0.244	S	C	.	.	H	α-helix	trans	-52.1	-35	-178.9	-172.1	-88.1	0	0	0	113.3	L264 Q266	F262-L264 PolarHBondContact O-N 2.95Å; F262-Q266 VanDerWaalsContact O-CA 3.26Å; F262-Q266 WeakPolarHBondContact O-CA 3.14Å; F262-Q266 PolarHBondContact O-N 3.21Å
263	S	97.4	Very high	97.8	Very high	96 Å²	96	48.5 Å²	48.5	67%	0.671	25%	0.253	S	S	*	.	H	α-helix	trans	-62	-25.5	177.1	55.5	0	0	0	0	114.2	P261	P261-S263 PolarHBondContact O-N 2.93Å
264	L	97.3	Very high	97.8	Very high	59 Å²	59	53.6 Å²	53.6	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-97.6	-47	178	-64.2	-171.4	0	0	0	111.7	R233 Y237 P261 F262	R233-L264 WeakPolarHBondContact CD-O 3.39Å; R233-L264 PolarHBondContact NH1-O 2.89Å; Y237-L264 HydrophobicContact CD1-CD1 4.04Å; Y237-L264 HydrophobicContact CD2-CB 4.04Å; Y237-L264 HydrophobicContact CE1-CB 4.42Å; Y237-L264 HydrophobicContact CE1-CD1 3.86Å; Y237-L264 HydrophobicContact CE1-CD2 4.36Å; Y237-L264 HydrophobicContact CE1-CG 4.45Å; Y237-L264 HydrophobicContact CE2-CB 3.63Å; Y237-L264 HydrophobicContact CE2-CD1 4.5Å; Y237-L264 HydrophobicContact CE2-CG 4.47Å; Y237-L264 HydrophobicContact CG-CD1 4.44Å; P261-L264 HydrophobicContact CG-CB 4.45Å; P261-L264 HydrophobicContact CG-CD1 4.14Å; P261-L264 HydrophobicContact CG-CG 4.04Å; P261-L264 PolarHBondContact O-N 2.69Å; F262-L264 PolarHBondContact O-N 2.95Å
265	C	97.4	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-79.4	-25.4	-176.6	-95.7	0	0	0	0	113.9	R233 Y234 C260 P261 S267	R233-C265 WeakPolarHBondContact CD-O 3.14Å; Y234-C265 VanDerWaalsContact CA-SG 3.55Å; C260-C265 HydrophobicContact CB-CB 4.07Å; C260-C265 WeakPolarHBondContact CB-SG 3.3Å; C260-C265 WeakPolarHBondContact SG-CA 3.22Å; C260-C265 WeakPolarHBondContact SG-CB 3.28Å; C260-C265 PolarHBondContact SG-N 2.78Å; C260-C265 VanDerWaalsContact SG-N 3.4Å; C260-C265 CovalentContact SG-SG 2.01Å; C260-C265 PolarHBondContact SG-SG 2.9Å; P261-C265 PolarHBondContact O-N 3.29Å; C265-S267 PolarHBondContact O-N 3.04Å; C265-S267 VanDerWaalsContact O-N 3.12Å
266	Q	97.5	Very high	97.7	Very high	101 Å²	101	48.2 Å²	48.2	47%	0.472	26%	0.258	S	S	.	.	S	Bend	trans	56	18.6	-169.5	-59.2	-175.9	-53	0	0	113.3	L218 F262	L218-Q266 HydrophobicContact CD1-CB 3.55Å; F262-Q266 VanDerWaalsContact O-CA 3.26Å; F262-Q266 WeakPolarHBondContact O-CA 3.14Å; F262-Q266 PolarHBondContact O-N 3.21Å
267	S	97.9	Very high	97.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	29%	0.291	C	S	.	.	S	Bend	trans	-146	159.5	172.9	61.3	0	0	0	0	107.5	S210 E216 C265	S210-S267 PolarHBondContact O-OG 3.05Å; E216-S267 VanDerWaalsContact O-CB 3.26Å; E216-S267 WeakPolarHBondContact O-CB 3.26Å; C265-S267 PolarHBondContact O-N 3.04Å; C265-S267 VanDerWaalsContact O-N 3.12Å
268	T	98.4	Very high	97.4	Very high	51 Å²	51	59.3 Å²	59.3	31%	0.313	30%	0.299	S	S	.	.			trans	-92	109.8	-178	-54.4	0	0	0	0	109.2	S211 A212 E215 I270	S211-T268 CarbonylContact C-O 3.58Å; S211-T268 VanDerWaalsContact C-O 3.25Å; S211-T268 VanDerWaalsContact CA-O 3.3Å; S211-T268 WeakPolarHBondContact CA-O 3.48Å; A212-T268 PolarHBondContact N-O 2.94Å; A212-T268 VanDerWaalsContact N-O 3.07Å; E215-T268 PolarHBondContact OE1-OG1 3.22Å; E215-T268 WeakPolarHBondContact OE2-CA 3.46Å; E215-T268 WeakPolarHBondContact OE2-CB 3.35Å; E215-T268 PolarHBondContact OE2-N 2.75Å; E215-T268 PolarHBondContact OE2-OG1 2.84Å; T268-I270 HydrophobicContact CG2-CD1 3.76Å; T268-I270 PolarHBondContact O-N 3.44Å
269	V	98.4	Very high	97.4	Very high	26 Å²	26	56.7 Å²	56.7	16%	0.158	29%	0.289	C	S	.	.			trans	-70.1	122.2	172.7	178.7	0	0	0	0	109.1	I208 G209 Y234 C260	I208-V269 HydrophobicContact CG2-CG1 3.77Å; G209-V269 WeakPolarHBondContact O-CA 3.31Å; Y234-V269 HydrophobicContact CD2-CG1 4.44Å; Y234-V269 HydrophobicContact CD2-CG2 3.74Å; Y234-V269 HydrophobicContact CE2-CG1 3.98Å; Y234-V269 HydrophobicContact CE2-CG2 4.1Å; C260-V269 HydrophobicContact CB-CG2 4.04Å; C260-V269 WeakPolarHBondContact O-CG2 2.92Å
270	I	98.4	Very high	97.4	Very high	46 Å²	46	56.4 Å²	56.4	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.4	179.8	-58.4	-64.3	0	0	0	109.5	E194 I208 G209 A212 T268	E194-I270 HydrophobicContact CB-CB 4.03Å; E194-I270 HydrophobicContact CB-CG1 4.09Å; E194-I270 HydrophobicContact CB-CG2 4.3Å; E194-I270 HydrophobicContact CG-CB 4.05Å; E194-I270 HydrophobicContact CG-CG1 4.2Å; E194-I270 HydrophobicContact CG-CG2 3.76Å; I208-I270 CarbonylContact C-O 3.57Å; I208-I270 WeakPolarHBondContact CA-O 3.38Å; G209-I270 PolarHBondContact N-O 3.09Å; G209-I270 PolarHBondContact O-N 3.03Å; A212-I270 HydrophobicContact CB-CD1 4.15Å; A212-I270 HydrophobicContact CB-CG1 3.84Å; T268-I270 HydrophobicContact CG2-CD1 3.76Å; T268-I270 PolarHBondContact O-N 3.44Å
271	T	98.3	Very high	97.5	Very high	40 Å²	40	63.3 Å²	63.3	25%	0.245	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.7	174.3	-63.5	0	0	0	0	110.1	V206 A207 I208 S257 I280	V206-T271 HydrophobicContact CG1-CG2 4.19Å; A207-T271 CarbonylContact O-C 3.56Å; A207-T271 WeakPolarHBondContact O-CA 3.04Å; I208-T271 HydrophobicContact CG1-CG2 4.09Å; S257-T271 VanDerWaalsContact CB-OG1 3.31Å; S257-T271 WeakPolarHBondContact CB-OG1 3.38Å; T271-I280 HydrophobicContact CG2-CD1 4.13Å
272	R	98	Very high	97.4	Very high	64 Å²	64	67 Å²	67	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.2	175.9	-178	-179.4	179	-156.8	-2.1	109.4	G197 K198 F200 V206 A207 D274	G197-R272 PolarHBondContact O-NH1 3.08Å; K198-R272 PolarHBondContact O-NH1 3.16Å; F200-R272 PolarHBondContact O-NH1 2.91Å; F200-R272 PolarHBondContact O-NH2 3.09Å; F200-R272 VanDerWaalsContact O-NH2 3.14Å; V206-R272 WeakPolarHBondContact CA-O 3.32Å; A207-R272 HydrophobicContact CB-CB 4.34Å; A207-R272 PolarHBondContact N-O 2.69Å; A207-R272 PolarHBondContact O-N 2.71Å; R272-D274 WeakPolarHBondContact CD-OD1 3.38Å; R272-D274 WeakPolarHBondContact CG-OD1 3.41Å; R272-D274 IonicContact CZ-OD1 2.96Å; R272-D274 IonicContact CZ-OD2 3.15Å; R272-D274 IonicContact NE-OD1 3.6Å; R272-D274 PolarHBondContact NE-OD1 3.05Å; R272-D274 IonicContact NE-OD2 3.63Å; R272-D274 PolarHBondContact NE-OD2 3.4Å; R272-D274 IonicContact NH2-OD1 2.66Å; R272-D274 IonicContact NH2-OD2 2.9Å; R272-D274 PolarHBondContact NH2-OD2 3.06Å
273	S	98	Very high	97.4	Very high	44 Å²	44	61.2 Å²	61.2	31%	0.308	30%	0.299	S	S	.	.			trans	-136.7	10.4	-176.3	57.6	0	0	0	0	114	L275 F276	S273-L275 PolarHBondContact O-N 2.77Å; S273-F276 VanDerWaalsContact O-CB 3.3Å; S273-F276 WeakPolarHBondContact O-CB 3.25Å; S273-F276 PolarHBondContact O-N 2.93Å
274	D	97.7	Very high	97.4	Very high	110 Å²	110	58.7 Å²	58.7	59%	0.588	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.2	178.1	57.4	-58.3	0	0	0	113.6	R272 F276	R272-D274 WeakPolarHBondContact CD-OD1 3.38Å; R272-D274 WeakPolarHBondContact CG-OD1 3.41Å; R272-D274 IonicContact CZ-OD1 2.96Å; R272-D274 IonicContact CZ-OD2 3.15Å; R272-D274 IonicContact NE-OD1 3.6Å; R272-D274 PolarHBondContact NE-OD1 3.05Å; R272-D274 IonicContact NE-OD2 3.63Å; R272-D274 PolarHBondContact NE-OD2 3.4Å; R272-D274 IonicContact NH2-OD1 2.66Å; R272-D274 IonicContact NH2-OD2 2.9Å; R272-D274 PolarHBondContact NH2-OD2 3.06Å; D274-F276 VanDerWaalsContact C-N 3.32Å
275	L	97.6	Very high	97.4	Very high	37 Å²	37	55.9 Å²	55.9	19%	0.194	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.8	175.7	-58.9	172.8	0	0	0	113	F200 N204 S273	F200-L275 HydrophobicContact CB-CD1 3.73Å; F200-L275 WeakPolarHBondContact O-CD1 3.4Å; N204-L275 WeakPolarHBondContact CA-O 3.43Å; N204-L275 PolarHBondContact N-O 3.03Å; S273-L275 PolarHBondContact O-N 2.77Å
276	F	97.6	Very high	97.4	Very high	14 Å²	14	56.8 Å²	56.8	6%	0.061	27%	0.269	C	S	.	.			trans	-95.3	123.5	-174.4	-156.4	-121.3	0	0	0	111	E183 V206 S273 D274 R278 I280 V283 F288	E183-F276 HydrophobicContact CB-CE2 3.75Å; E183-F276 HydrophobicContact CB-CZ 4.15Å; E183-F276 HydrophobicContact CG-CE2 3.54Å; E183-F276 HydrophobicContact CG-CZ 3.8Å; V206-F276 HydrophobicContact CG2-CB 3.68Å; V206-F276 HydrophobicContact CG2-CD1 3.63Å; V206-F276 HydrophobicContact CG2-CD2 3.58Å; V206-F276 HydrophobicContact CG2-CE1 4.1Å; V206-F276 HydrophobicContact CG2-CE2 4.07Å; V206-F276 HydrophobicContact CG2-CG 3.36Å; V206-F276 HydrophobicContact CG2-CZ 4.32Å; S273-F276 VanDerWaalsContact O-CB 3.3Å; S273-F276 WeakPolarHBondContact O-CB 3.25Å; S273-F276 PolarHBondContact O-N 2.93Å; D274-F276 VanDerWaalsContact C-N 3.32Å; F276-R278 VanDerWaalsContact C-N 3.32Å; F276-R278 HydrophobicContact CD1-CB 4.05Å; F276-R278 WeakPolarHBondContact CD1-O 3.43Å; F276-R278 HydrophobicContact CE1-CB 3.78Å; F276-R278 PolarHBondContact O-N 2.81Å; F276-I280 HydrophobicContact CD1-CG2 3.94Å; F276-I280 HydrophobicContact CE1-CG2 4.43Å; F276-V283 HydrophobicContact CE1-CB 4.46Å; F276-V283 HydrophobicContact CE1-CG1 4.35Å; F276-V283 HydrophobicContact CE1-CG2 3.63Å; F276-V283 HydrophobicContact CZ-CG2 4.44Å; F276-F288 HydrophobicContact CZ-CZ 4.32Å
277	R	94.8	Very high	97.4	Very high	181 Å²	181	53 Å²	53	68%	0.683	25%	0.252	S	S	*	.	S	Bend	trans	-67.5	-31.9	-175.9	-72.4	-179.6	177.6	-179.1	0.5	113.4	N204	N204-R277 VanDerWaalsContact OD1-CD 3.3Å; N204-R277 WeakPolarHBondContact OD1-CD 3.37Å; N204-R277 WeakPolarHBondContact OD1-CG 3.35Å
278	R	94.8	Very high	97.4	Very high	57 Å²	57	53 Å²	53	22%	0.215	25%	0.251	C	S	.	.	S	Bend	trans	-88.9	152.4	178.9	-84.5	165.6	63.1	-159.5	13.6	111	Y24 E183 F276 I280 V283 D287	Y24-R278 HydrophobicContact CE1-CG 4.05Å; Y24-R278 HydrophobicContact CE2-CG 3.88Å; Y24-R278 WeakPolarHBondContact OH-CD 3.3Å; Y24-R278 WeakPolarHBondContact OH-CG 3.3Å; E183-R278 WeakPolarHBondContact OE1-CD 3.26Å; E183-R278 IonicContact OE1-CZ 3.66Å; E183-R278 IonicContact OE1-NH1 3.53Å; E183-R278 PolarHBondContact OE1-NH1 3.37Å; E183-R278 IonicContact OE2-NH1 3.12Å; E183-R278 PolarHBondContact OE2-NH1 3.01Å; F276-R278 VanDerWaalsContact C-N 3.32Å; F276-R278 HydrophobicContact CD1-CB 4.05Å; F276-R278 WeakPolarHBondContact CD1-O 3.43Å; F276-R278 HydrophobicContact CE1-CB 3.78Å; F276-R278 PolarHBondContact O-N 2.81Å; R278-I280 PolarHBondContact O-N 3.07Å; R278-V283 HydrophobicContact CB-CG2 3.65Å; R278-V283 HydrophobicContact CG-CG2 4.45Å; R278-V283 VanDerWaalsContact CZ-CG2 3.43Å; R278-V283 VanDerWaalsContact NE-CG2 3.32Å; R278-D287 IonicContact CZ-OD2 3.68Å; R278-D287 IonicContact NH1-OD2 3.74Å; R278-D287 IonicContact NH2-OD2 3.61Å; R278-D287 PolarHBondContact NH2-OD2 3.1Å
279	D	96.6	Very high	97.4	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	24%	0.237	S	C	.	.			trans	-73.4	120.1	165.5	-174.8	-16.2	0	0	0	109.9	R281 H282 V283	D279-R281 VanDerWaalsContact CG-NE 3.32Å; D279-R281 PolarHBondContact O-N 3.49Å; D279-R281 VanDerWaalsContact OD1-CB 3.28Å; D279-R281 WeakPolarHBondContact OD1-CB 3.2Å; D279-R281 WeakPolarHBondContact OD1-CG 3.47Å; D279-R281 IonicContact OD1-CZ 2.98Å; D279-R281 PolarHBondContact OD1-N 3.01Å; D279-R281 IonicContact OD1-NE 2.86Å; D279-R281 PolarHBondContact OD1-NE 3.36Å; D279-R281 IonicContact OD1-NH2 3.67Å; D279-R281 IonicContact OD2-CZ 3.43Å; D279-R281 IonicContact OD2-NE 3.82Å; D279-R281 PolarHBondContact OD2-NE 2.99Å; D279-R281 IonicContact OD2-NH2 3.82Å; D279-R281 PolarHBondContact OD2-NH2 2.93Å; D279-H282 PolarHBondContact O-N 3.23Å; D279-H282 IonicContact OD2-CE1 2.59Å; D279-H282 IonicContact OD2-ND1 3.01Å; D279-V283 WeakPolarHBondContact O-CG2 3.48Å; D279-V283 PolarHBondContact O-N 3.37Å
280	I	97.4	Very high	97.2	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.072	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-59.5	-18.8	-179.7	62.8	166.9	0	0	0	113.4	V206 L253 Y254 T271 F276 R278 H282 V283	V206-I280 HydrophobicContact CG2-CG2 3.9Å; L253-I280 HydrophobicContact CB-CB 4.04Å; L253-I280 PolarHBondContact N-O 3.11Å; Y254-I280 HydrophobicContact CD2-CD1 4.29Å; Y254-I280 PolarHBondContact N-O 3.2Å; Y254-I280 VanDerWaalsContact N-O 3.14Å; T271-I280 HydrophobicContact CG2-CD1 4.13Å; F276-I280 HydrophobicContact CD1-CG2 3.94Å; F276-I280 HydrophobicContact CE1-CG2 4.43Å; R278-I280 PolarHBondContact O-N 3.07Å; I280-H282 PolarHBondContact O-N 3.27Å; I280-V283 PolarHBondContact O-N 2.6Å
281	R	97.8	Very high	97	Very high	148 Å²	148	49.2 Å²	49.2	56%	0.558	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-69.1	-13.4	172.1	-63	174.1	-69.3	-172	0.9	113.4	T252 Y254 D279	T252-R281 VanDerWaalsContact CG2-O 3.22Å; T252-R281 WeakPolarHBondContact CG2-O 3.48Å; Y254-R281 HydrophobicContact CD1-CG 4.32Å; Y254-R281 HydrophobicContact CD2-CG 3.83Å; Y254-R281 HydrophobicContact CG-CG 3.69Å; D279-R281 VanDerWaalsContact CG-NE 3.32Å; D279-R281 PolarHBondContact O-N 3.49Å; D279-R281 VanDerWaalsContact OD1-CB 3.28Å; D279-R281 WeakPolarHBondContact OD1-CB 3.2Å; D279-R281 WeakPolarHBondContact OD1-CG 3.47Å; D279-R281 IonicContact OD1-CZ 2.98Å; D279-R281 PolarHBondContact OD1-N 3.01Å; D279-R281 IonicContact OD1-NE 2.86Å; D279-R281 PolarHBondContact OD1-NE 3.36Å; D279-R281 IonicContact OD1-NH2 3.67Å; D279-R281 IonicContact OD2-CZ 3.43Å; D279-R281 IonicContact OD2-NE 3.82Å; D279-R281 PolarHBondContact OD2-NE 2.99Å; D279-R281 IonicContact OD2-NH2 3.82Å; D279-R281 PolarHBondContact OD2-NH2 2.93Å
282	H	96.8	Very high	96.4	Very high	140 Å²	140	48.5 Å²	48.5	65%	0.648	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-118.4	4	178.2	-56.2	101.3	0	0	0	112.7	D279 I280	D279-H282 PolarHBondContact O-N 3.23Å; D279-H282 IonicContact OD2-CE1 2.59Å; D279-H282 IonicContact OD2-ND1 3.01Å; I280-H282 PolarHBondContact O-N 3.27Å
283	V	96.8	Very high	95.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-98.5	125.4	178.9	-179.3	0	0	0	0	108.1	T252 L253 F276 R278 D279 I280 D287 F288	T252-V283 CarbonylContact C-O 3.54Å; T252-V283 WeakPolarHBondContact CA-O 3.42Å; T252-V283 WeakPolarHBondContact CB-O 3.25Å; L253-V283 HydrophobicContact CB-CB 4.47Å; L253-V283 HydrophobicContact CD1-CB 4.08Å; L253-V283 HydrophobicContact CD1-CG1 3.57Å; L253-V283 HydrophobicContact CG-CB 4.19Å; L253-V283 HydrophobicContact CG-CG1 3.87Å; L253-V283 PolarHBondContact N-O 3.27Å; F276-V283 HydrophobicContact CE1-CB 4.46Å; F276-V283 HydrophobicContact CE1-CG1 4.35Å; F276-V283 HydrophobicContact CE1-CG2 3.63Å; F276-V283 HydrophobicContact CZ-CG2 4.44Å; R278-V283 HydrophobicContact CB-CG2 3.65Å; R278-V283 HydrophobicContact CG-CG2 4.45Å; R278-V283 VanDerWaalsContact CZ-CG2 3.43Å; R278-V283 VanDerWaalsContact NE-CG2 3.32Å; D279-V283 WeakPolarHBondContact O-CG2 3.48Å; D279-V283 PolarHBondContact O-N 3.37Å; I280-V283 PolarHBondContact O-N 2.6Å; V283-D287 HydrophobicContact CG1-CB 4.32Å; V283-F288 HydrophobicContact CG1-CE2 4.05Å
284	L	97.4	Very high	93.4	Very high	43 Å²	43	58.1 Å²	58.1	23%	0.225	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-76.8	145.5	-176.5	-61.1	-179.3	0	0	0	110.2	T286 D287	L284-T286 WeakPolarHBondContact CB-OG1 3.1Å; L284-T286 PolarHBondContact O-N 3.01Å; L284-D287 PolarHBondContact N-OD2 3.04Å; L284-D287 VanDerWaalsContact O-CB 3.27Å; L284-D287 WeakPolarHBondContact O-CB 3.38Å; L284-D287 PolarHBondContact O-N 3.39Å
285	V	97.7	Very high	91.3	Very high	1 Å²	1	60 Å²	60	1%	0.006	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.5	170.4	176.4	0	0	0	0	110.4	F241 L242 R251 T252 L253 F256 D287 F288 F289	F241-V285 HydrophobicContact CE1-CG1 4.32Å; F241-V285 HydrophobicContact CE1-CG2 3.93Å; F241-V285 HydrophobicContact CZ-CG2 4.11Å; L242-V285 HydrophobicContact CD2-CG1 3.94Å; R251-V285 HydrophobicContact CB-CG2 4.34Å; R251-V285 WeakPolarHBondContact O-CG2 3.42Å; R251-V285 PolarHBondContact O-N 2.93Å; T252-V285 VanDerWaalsContact C-CG2 3.48Å; T252-V285 WeakPolarHBondContact O-CG2 3.42Å; L253-V285 HydrophobicContact CD2-CG2 4.45Å; F256-V285 HydrophobicContact CB-CG2 3.85Å; F256-V285 HydrophobicContact CD2-CG1 4.43Å; V285-D287 PolarHBondContact O-N 3.44Å; V285-F288 PolarHBondContact O-N 2.81Å; V285-F288 VanDerWaalsContact O-N 3.09Å; V285-F289 HydrophobicContact CG1-CB 4.2Å; V285-F289 HydrophobicContact CG1-CD2 3.45Å; V285-F289 VanDerWaalsContact CG1-CD2 3.45Å; V285-F289 HydrophobicContact CG1-CE2 4.05Å; V285-F289 HydrophobicContact CG1-CG 4.03Å; V285-F289 WeakPolarHBondContact O-CD2 3.17Å; V285-F289 PolarHBondContact O-N 3.14Å
286	T	97.1	Very high	88.7	Confident	19 Å²	19	65.4 Å²	65.4	12%	0.117	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-14.5	177.1	49.7	0	0	0	0	113.7	N30 V245 L284 F288 G290	N30-T286 PolarHBondContact ND2-O 3.39Å; V245-T286 HydrophobicContact CG1-CG2 4.04Å; L284-T286 WeakPolarHBondContact CB-OG1 3.1Å; L284-T286 PolarHBondContact O-N 3.01Å; T286-F288 PolarHBondContact O-N 3Å; T286-G290 PolarHBondContact O-N 3.24Å
287	D	97.1	Very high	86.1	Confident	20 Å²	20	70 Å²	70	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-15.7	172	-69.1	-11.5	0	0	0	112.1	H27 N30 N141 R278 V283 L284 V285	H27-D287 IonicContact CE1-OD1 2.92Å; H27-D287 PolarHBondContact NE2-O 3.13Å; N30-D287 VanDerWaalsContact CG-O 3.32Å; N30-D287 VanDerWaalsContact ND2-C 3.29Å; N30-D287 PolarHBondContact ND2-O 2.77Å; N30-D287 PolarHBondContact OD1-O 2.66Å; N141-D287 PolarHBondContact ND2-O 3.43Å; R278-D287 IonicContact CZ-OD2 3.68Å; R278-D287 IonicContact NH1-OD2 3.74Å; R278-D287 IonicContact NH2-OD2 3.61Å; R278-D287 PolarHBondContact NH2-OD2 3.1Å; V283-D287 HydrophobicContact CG1-CB 4.32Å; L284-D287 PolarHBondContact N-OD2 3.04Å; L284-D287 VanDerWaalsContact O-CB 3.27Å; L284-D287 WeakPolarHBondContact O-CB 3.38Å; L284-D287 PolarHBondContact O-N 3.39Å; V285-D287 PolarHBondContact O-N 3.44Å
288	F	98.1	Very high	84.1	Confident	1 Å²	1	64 Å²	64	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-122.6	-36.7	175.5	-68.6	-87.8	0	0	0	113.6	N141 E183 L185 L253 F276 V283 V285 T286	N141-F288 HydrophobicContact CB-CD1 4.17Å; N141-F288 HydrophobicContact CB-CE1 4.11Å; E183-F288 HydrophobicContact CB-CE1 4.12Å; E183-F288 HydrophobicContact CB-CZ 3.74Å; L185-F288 HydrophobicContact CB-CB 4.44Å; L185-F288 HydrophobicContact CB-CD1 3.42Å; L185-F288 VanDerWaalsContact CB-CD1 3.42Å; L185-F288 HydrophobicContact CB-CD2 4.31Å; L185-F288 HydrophobicContact CB-CE1 3.59Å; L185-F288 HydrophobicContact CB-CE2 4.46Å; L185-F288 HydrophobicContact CB-CG 3.79Å; L185-F288 HydrophobicContact CB-CZ 4.1Å; L185-F288 HydrophobicContact CD2-CB 3.94Å; L185-F288 HydrophobicContact CD2-CD1 4.4Å; L185-F288 HydrophobicContact CD2-CD2 4.22Å; L185-F288 HydrophobicContact CD2-CG 3.92Å; L253-F288 HydrophobicContact CD1-CD2 3.95Å; L253-F288 HydrophobicContact CD1-CE2 3.66Å; L253-F288 HydrophobicContact CD2-CD2 4.19Å; L253-F288 HydrophobicContact CG-CD2 4.45Å; F276-F288 HydrophobicContact CZ-CZ 4.32Å; V283-F288 HydrophobicContact CG1-CE2 4.05Å; V285-F288 PolarHBondContact O-N 2.81Å; V285-F288 VanDerWaalsContact O-N 3.09Å; T286-F288 PolarHBondContact O-N 3Å
289	F	98.1	Very high	81.9	Confident	1 Å²	1	67.1 Å²	67.1	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-95.4	-13.5	-173.1	-69.5	-94.6	0	0	0	114	I53 I57 L60 L143 L185 I187 L242 F256 V285	I53-F289 HydrophobicContact CG2-CE1 4.42Å; I57-F289 HydrophobicContact CG2-CB 4.35Å; I57-F289 HydrophobicContact CG2-CD1 3.74Å; I57-F289 HydrophobicContact CG2-CG 4.47Å; L60-F289 VanDerWaalsContact CB-O 3.26Å; L60-F289 WeakPolarHBondContact CB-O 3.42Å; L60-F289 HydrophobicContact CD1-CB 3.83Å; L60-F289 WeakPolarHBondContact CD1-O 3.15Å; L143-F289 HydrophobicContact CD1-CE1 4.32Å; L143-F289 HydrophobicContact CD1-CZ 4.02Å; L143-F289 HydrophobicContact CD2-CD1 3.75Å; L143-F289 HydrophobicContact CD2-CE1 3.5Å; L143-F289 VanDerWaalsContact CD2-CE1 3.5Å; L143-F289 HydrophobicContact CD2-CG 4.43Å; L143-F289 HydrophobicContact CD2-CZ 4.02Å; L185-F289 HydrophobicContact CD2-CD2 4.5Å; L185-F289 HydrophobicContact CD2-CE2 3.64Å; L185-F289 HydrophobicContact CD2-CZ 4.24Å; I187-F289 HydrophobicContact CD1-CE2 4.49Å; I187-F289 HydrophobicContact CD1-CZ 3.75Å; L242-F289 HydrophobicContact CD1-CD1 3.8Å; L242-F289 HydrophobicContact CD1-CE1 3.67Å; L242-F289 HydrophobicContact CD2-CB 4.25Å; L242-F289 HydrophobicContact CD2-CD1 3.66Å; L242-F289 HydrophobicContact CD2-CD2 4.31Å; L242-F289 HydrophobicContact CD2-CE1 4.02Å; L242-F289 HydrophobicContact CD2-CG 3.83Å; L242-F289 HydrophobicContact CD2-CZ 4.47Å; L242-F289 HydrophobicContact CG-CD1 4.41Å; L242-F289 HydrophobicContact CG-CE1 4.47Å; F256-F289 HydrophobicContact CE1-CZ 4.26Å; F256-F289 HydrophobicContact CE2-CE2 4.27Å; F256-F289 AromaticContact CE2-CZ 3.93Å; F256-F289 HydrophobicContact CE2-CZ 3.93Å; F256-F289 HydrophobicContact CZ-CE2 4.28Å; F256-F289 AromaticContact CZ-CZ 3.71Å; F256-F289 HydrophobicContact CZ-CZ 3.71Å; V285-F289 HydrophobicContact CG1-CB 4.2Å; V285-F289 HydrophobicContact CG1-CD2 3.45Å; V285-F289 VanDerWaalsContact CG1-CD2 3.45Å; V285-F289 HydrophobicContact CG1-CE2 4.05Å; V285-F289 HydrophobicContact CG1-CG 4.03Å; V285-F289 WeakPolarHBondContact O-CD2 3.17Å; V285-F289 PolarHBondContact O-N 3.14Å
290	G	95.9	Very high	80	Confident	2 Å²	2	70.5 Å²	70.5	2%	0.021	38%	0.375	C	S	.	.	S	Bend	trans	-111.6	165.7	-175.4	0	0	0	0	0	114.9	N30 T286	N30-G290 WeakPolarHBondContact CB-O 3.28Å; N30-G290 PolarHBondContact ND2-O 2.86Å; T286-G290 PolarHBondContact O-N 3.24Å
291	S	93.1	Very high	78	Confident	41 Å²	41	76.7 Å²	76.7	29%	0.287	41%	0.406	S	S	.	.			trans	-71.3	142	171	50.8	0	0	0	0	112.7	L60 G61 R293	L60-S291 PolarHBondContact O-N 2.91Å; L60-S291 PolarHBondContact O-OG 2.93Å; L60-S291 VanDerWaalsContact O-OG 3.11Å; G61-S291 WeakPolarHBondContact O-CB 3.47Å; S291-R293 PolarHBondContact O-N 3.27Å
292	V	86.4	Confident	75.7	Confident	25 Å²	25	78 Å²	78	15%	0.152	42%	0.418	C	S	.	.			trans	-82.3	109.9	167.1	-176.8	0	0	0	0	108.4	H27	H27-V292 VanDerWaalsContact CD2-CG2 3.4Å; H27-V292 WeakPolarHBondContact CD2-CG2 3.31Å; H27-V292 VanDerWaalsContact NE2-CG2 3.33Å; H27-V292 WeakPolarHBondContact NE2-CG2 3.23Å
293	R	71.7	Confident	73.5	Confident	183 Å²	183	78 Å²	78	69%	0.691	42%	0.422	S	S	*	.			trans	-90.9	111.2	169.8	-66.2	-174.8	-178.2	-171.9	-0.7	109.5	S291 I295	S291-R293 PolarHBondContact O-N 3.27Å; R293-I295 PolarHBondContact O-N 3.42Å
294	H	61.1	Low	71.2	Confident	128 Å²	128	82.7 Å²	82.7	59%	0.593	46%	0.455	S	S	*	.			trans	-79.4	102.1	161.9	-67.2	-73.9	0	0	0	108.1	I296	H294-I296 PolarHBondContact O-N 3.4Å
295	I	52.8	Low	68.6	Low	150 Å²	150	87.6 Å²	87.6	77%	0.769	48%	0.481	S	S	*	.			trans	-79.3	104.8	163.8	-58	170.9	0	0	0	105.3	R293 P297	R293-I295 PolarHBondContact O-N 3.42Å; I295-P297 WeakPolarHBondContact O-CD 3.33Å
296	I	43.6	Very low	66.1	Low	149 Å²	149	92.2 Å²	92.2	76%	0.764	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-72.9	117.7	163.9	-58.5	172.3	0	0	0	105.4	H294 G298	H294-I296 PolarHBondContact O-N 3.4Å; I296-G298 PolarHBondContact O-N 3.35Å
297	P	43.3	Very low	63.6	Low	112 Å²	112	96.6 Å²	96.6	73%	0.727	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-58.6	123.4	170.8	-17.4	30.6	0	0	0	108.1	I295	I295-P297 WeakPolarHBondContact O-CD 3.33Å
298	G	52.3	Low	60.9	Low	53 Å²	53	102.1 Å²	102.1	55%	0.546	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-59.6	162	171	0	0	0	0	0	110.8	I296 V300	I296-G298 PolarHBondContact O-N 3.35Å; G298-V300 PolarHBondContact O-N 2.9Å
299	P	49.8	Very low	58.2	Low	124 Å²	124	111.5 Å²	111.5	81%	0.805	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-55.9	128.4	176.4	23.4	-31.5	0	0	0	109.7	I301	P299-I301 PolarHBondContact O-N 3.11Å; P299-I301 VanDerWaalsContact O-N 3.11Å
300	V	55.7	Low	55.6	Low	127 Å²	127	120.8 Å²	120.8	77%	0.77	66%	0.655	S	S	*	*			trans	-65.6	110.6	170.4	-179.5	0	0	0	0	106.4	G298 E302	G298-V300 PolarHBondContact O-N 2.9Å; V300-E302 HydrophobicContact CG1-CG 4.42Å; V300-E302 PolarHBondContact O-N 3.47Å; V300-E302 VanDerWaalsContact O-N 3.12Å
301	I	55.3	Low	53.1	Low	144 Å²	144	127 Å²	127	74%	0.738	69%	0.688	S	S	*	*			trans	-76.2	97.8	168.4	-56.3	175	0	0	0	105.8	P299 I303	P299-I301 PolarHBondContact O-N 3.11Å; P299-I301 VanDerWaalsContact O-N 3.11Å; I301-I303 HydrophobicContact CG2-CG1 4.34Å; I301-I303 PolarHBondContact O-N 3.37Å
302	E	50.8	Low	50.7	Low	174 Å²	174	131.6 Å²	131.6	81%	0.813	71%	0.709	S	S	*	*			trans	-66.1	102.2	166	-76.7	-171.9	169.2	0	0	108.2	V300 S304	V300-E302 HydrophobicContact CG1-CG 4.42Å; V300-E302 PolarHBondContact O-N 3.47Å; V300-E302 VanDerWaalsContact O-N 3.12Å; E302-S304 VanDerWaalsContact C-N 3.32Å; E302-S304 PolarHBondContact O-N 2.96Å
303	I	50.5	Low	48.7	Very low	140 Å²	140	137.1 Å²	137.1	72%	0.718	74%	0.743	S	S	*	*			trans	-74.2	94.2	165.6	-57.2	174.2	0	0	0	105.9	I301 N305	I301-I303 HydrophobicContact CG2-CG1 4.34Å; I301-I303 PolarHBondContact O-N 3.37Å; I303-N305 PolarHBondContact O-N 3.07Å
304	S	48.1	Very low	47.2	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	75%	0.749	S	S	*	*			trans	-67.7	100.8	169	62.2	0	0	0	0	108.4	E302 S306	E302-S304 VanDerWaalsContact C-N 3.32Å; E302-S304 PolarHBondContact O-N 2.96Å; S304-S306 PolarHBondContact O-N 3.46Å
305	N	42.7	Very low	46.6	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	76%	0.763	S	S	*	*			trans	-69.1	80.4	161.8	-85.2	-14.4	0	0	0	108.1	I303 T307	I303-N305 PolarHBondContact O-N 3.07Å; N305-T307 VanDerWaalsContact C-N 3.3Å; N305-T307 PolarHBondContact O-N 2.97Å
306	S	45.5	Very low	46.2	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	76%	0.764	S	S	*	*			trans	-70.8	96.8	162.8	55.3	0	0	0	0	107.5	S304 V308	S304-S306 PolarHBondContact O-N 3.46Å; S306-V308 PolarHBondContact O-N 2.73Å
307	T	43.6	Very low	46.4	Very low	110 Å²	110	144.7 Å²	144.7	68%	0.675	79%	0.786	S	S	*	*			trans	-35.5	115.1	163.5	35.8	0	0	0	0	112.6	N305 Y309	N305-T307 VanDerWaalsContact C-N 3.3Å; N305-T307 PolarHBondContact O-N 2.97Å; T307-Y309 HydrophobicContact CG2-CD2 4.09Å; T307-Y309 HydrophobicContact CG2-CE2 3.99Å; T307-Y309 PolarHBondContact O-N 3.13Å
308	V	40.7	Very low	46.6	Very low	136 Å²	136	146.3 Å²	146.3	82%	0.824	79%	0.789	S	S	*	*			trans	-70.4	98	159.1	176.6	0	0	0	0	107	S306	S306-V308 PolarHBondContact O-N 2.73Å
309	Y	40.9	Very low	46.3	Very low	199 Å²	199	151.2 Å²	151.2	78%	0.78	80%	0.801	S	S	*	*			trans	-137.2	80.4	161.9	-74.5	-68.1	0	0	0	107.9	T307	T307-Y309 HydrophobicContact CG2-CD2 4.09Å; T307-Y309 HydrophobicContact CG2-CE2 3.99Å; T307-Y309 PolarHBondContact O-N 3.13Å
310	E	44.1	Very low	46.1	Very low	196 Å²	196	152.7 Å²	152.7	92%	0.916	80%	0.801	S	S	*	*			trans	-91.1	100.9	155.3	-111.3	175.6	176.8	0	0	106.8
311	N	42.6	Very low	45.5	Very low	132 Å²	132	154.2 Å²	154.2	71%	0.706	80%	0.803	S	S	*	*			trans	-87.3	147.2	166	-98.1	-6.1	0	0	0	109.7
312	D	43.7	Very low	44.9	Very low	138 Å²	138	154.9 Å²	154.9	74%	0.738	81%	0.807	S	S	*	*			trans	71	105.5	154.1	-66.8	-30.1	0	0	0	118.9
313	T	44.3	Very low	44.5	Very low	140 Å²	140	153.6 Å²	153.6	86%	0.859	81%	0.807	S	S	*	*				-171.8	127.3	91.4	22.9	0	0	0	0	113.2
314	L	40.3	Very low	44.1	Very low	157 Å²	157	154.6 Å²	154.6	82%	0.822	81%	0.813	S	S	*	*			trans	-29.3	128.1	156.9	-122.7	75.6	0	0	0	114.1
315	N	48.1	Very low	43.8	Very low	165 Å²	165	158.8 Å²	158.8	88%	0.882	82%	0.822	S	S	*	*			trans	-159.9	134.1	130.5	-105.4	-25.1	0	0	0	113.2
316	K	43.5	Very low	43.9	Very low	183 Å²	183	159.8 Å²	159.8	80%	0.796	83%	0.825	S	S	*	*			trans	-66	132.2	178.8	-69.4	167.3	170.7	174.6	0	111.3
317	H	48.9	Very low	43.7	Very low	264 Å²	264	165.5 Å²	165.5	100%	1.222	84%	0.838	S	S	*	*				-166.4	0	123.6	-95.9	-55.8	0	0	0	109.5

Retrieved 317 of 317 residues in 291.3 ms (Link to these results)

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